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CKNTwoCenterl Class Reference

Class for calculating parameter. More...

#include "KNTwoCenterl.h"

Collaboration diagram for CKNTwoCenterl:
Collaboration graph

Public Member Functions

 CKNTwoCenterl ()
 
 ~CKNTwoCenterl ()
 
void BuildTwoCenterlParam (GEO_PARAMETER &parameter, CKNGeometricAtom::ATOM_TYPE type)
 Calculating parameter. More...
 

Detailed Description

Class for calculating parameter.

Date
03/Oct/2014
Author
Kyu Nam Cho(mysto.nosp@m.us@k.nosp@m.orea..nosp@m.ac.k.nosp@m.r), Hoon Ryu(elec1.nosp@m.020@.nosp@m.gmail.nosp@m..com)

Definition at line 17 of file KNTwoCenterl.h.

Constructor & Destructor Documentation

CKNTwoCenterl::CKNTwoCenterl ( )

Definition at line 11 of file KNTwoCenterl.cpp.

12 {
13 }
CKNTwoCenterl::~CKNTwoCenterl ( )

Definition at line 16 of file KNTwoCenterl.cpp.

17 {
18 }

Member Function Documentation

void CKNTwoCenterl::BuildTwoCenterlParam ( GEO_PARAMETER parameter,
CKNGeometricAtom::ATOM_TYPE  type 
)

Calculating parameter.

Parameters
[out]paramterGeometric parameters
typeAtom type

Definition at line 24 of file KNTwoCenterl.cpp.

References CKNGeometricAtom::A, CKNGeometricAtom::C, GEO_PARAMETER::fL, GEO_PARAMETER::fM, GEO_PARAMETER::fN, GEO_PARAMETER::fVd1ad1c, GEO_PARAMETER::fVd1ad2c, GEO_PARAMETER::fVd1ad3c, GEO_PARAMETER::fVd1ad4c, GEO_PARAMETER::fVd1ad5c, GEO_PARAMETER::fVd1apxc, GEO_PARAMETER::fVd1apyc, GEO_PARAMETER::fVd1apzc, GEO_PARAMETER::fVd1asc, GEO_PARAMETER::fVd1astc, GEO_PARAMETER::fVd1cd1a, GEO_PARAMETER::fVd1cd2a, GEO_PARAMETER::fVd1cd3a, GEO_PARAMETER::fVd1cd4a, GEO_PARAMETER::fVd1cd5a, GEO_PARAMETER::fVd1cpxa, GEO_PARAMETER::fVd1cpya, GEO_PARAMETER::fVd1cpza, GEO_PARAMETER::fVd1csa, GEO_PARAMETER::fVd1csta, GEO_PARAMETER::fVd2ad1c, GEO_PARAMETER::fVd2ad2c, GEO_PARAMETER::fVd2ad3c, GEO_PARAMETER::fVd2ad4c, GEO_PARAMETER::fVd2ad5c, GEO_PARAMETER::fVd2apxc, GEO_PARAMETER::fVd2apyc, GEO_PARAMETER::fVd2apzc, GEO_PARAMETER::fVd2asc, GEO_PARAMETER::fVd2astc, GEO_PARAMETER::fVd2cd1a, GEO_PARAMETER::fVd2cd2a, GEO_PARAMETER::fVd2cd3a, GEO_PARAMETER::fVd2cd4a, GEO_PARAMETER::fVd2cd5a, GEO_PARAMETER::fVd2cpxa, GEO_PARAMETER::fVd2cpya, GEO_PARAMETER::fVd2cpza, GEO_PARAMETER::fVd2csa, GEO_PARAMETER::fVd2csta, GEO_PARAMETER::fVd3ad1c, GEO_PARAMETER::fVd3ad2c, GEO_PARAMETER::fVd3ad3c, GEO_PARAMETER::fVd3ad4c, GEO_PARAMETER::fVd3ad5c, GEO_PARAMETER::fVd3apxc, GEO_PARAMETER::fVd3apyc, GEO_PARAMETER::fVd3apzc, GEO_PARAMETER::fVd3asc, GEO_PARAMETER::fVd3astc, GEO_PARAMETER::fVd3cd1a, GEO_PARAMETER::fVd3cd2a, GEO_PARAMETER::fVd3cd3a, GEO_PARAMETER::fVd3cd4a, GEO_PARAMETER::fVd3cd5a, GEO_PARAMETER::fVd3cpxa, GEO_PARAMETER::fVd3cpya, GEO_PARAMETER::fVd3cpza, GEO_PARAMETER::fVd3csa, GEO_PARAMETER::fVd3csta, GEO_PARAMETER::fVd4ad1c, GEO_PARAMETER::fVd4ad2c, GEO_PARAMETER::fVd4ad3c, GEO_PARAMETER::fVd4ad4c, GEO_PARAMETER::fVd4ad5c, GEO_PARAMETER::fVd4apxc, GEO_PARAMETER::fVd4apyc, GEO_PARAMETER::fVd4apzc, GEO_PARAMETER::fVd4asc, GEO_PARAMETER::fVd4astc, GEO_PARAMETER::fVd4cd1a, GEO_PARAMETER::fVd4cd2a, GEO_PARAMETER::fVd4cd3a, GEO_PARAMETER::fVd4cd4a, GEO_PARAMETER::fVd4cd5a, GEO_PARAMETER::fVd4cpxa, GEO_PARAMETER::fVd4cpya, GEO_PARAMETER::fVd4cpza, GEO_PARAMETER::fVd4csa, GEO_PARAMETER::fVd4csta, GEO_PARAMETER::fVd5ad1c, GEO_PARAMETER::fVd5ad2c, GEO_PARAMETER::fVd5ad3c, GEO_PARAMETER::fVd5ad4c, GEO_PARAMETER::fVd5ad5c, GEO_PARAMETER::fVd5apxc, GEO_PARAMETER::fVd5apyc, GEO_PARAMETER::fVd5apzc, GEO_PARAMETER::fVd5asc, GEO_PARAMETER::fVd5astc, GEO_PARAMETER::fVd5cd1a, GEO_PARAMETER::fVd5cd2a, GEO_PARAMETER::fVd5cd3a, GEO_PARAMETER::fVd5cd4a, GEO_PARAMETER::fVd5cd5a, GEO_PARAMETER::fVd5cpxa, GEO_PARAMETER::fVd5cpya, GEO_PARAMETER::fVd5cpza, GEO_PARAMETER::fVd5csa, GEO_PARAMETER::fVd5csta, GEO_PARAMETER::fVddda, GEO_PARAMETER::fVdddc, GEO_PARAMETER::fVddpa, GEO_PARAMETER::fVddpc, GEO_PARAMETER::fVddsa, GEO_PARAMETER::fVddsc, GEO_PARAMETER::fVpdpa, GEO_PARAMETER::fVpdpc, GEO_PARAMETER::fVpdsa, GEO_PARAMETER::fVpdsc, GEO_PARAMETER::fVpppa, GEO_PARAMETER::fVpppc, GEO_PARAMETER::fVppsa, GEO_PARAMETER::fVppsc, GEO_PARAMETER::fVpxad1c, GEO_PARAMETER::fVpxad2c, GEO_PARAMETER::fVpxad3c, GEO_PARAMETER::fVpxad4c, GEO_PARAMETER::fVpxad5c, GEO_PARAMETER::fVpxapxc, GEO_PARAMETER::fVpxapyc, GEO_PARAMETER::fVpxapzc, GEO_PARAMETER::fVpxasc, GEO_PARAMETER::fVpxastc, GEO_PARAMETER::fVpxcd1a, GEO_PARAMETER::fVpxcd2a, GEO_PARAMETER::fVpxcd3a, GEO_PARAMETER::fVpxcd4a, GEO_PARAMETER::fVpxcd5a, GEO_PARAMETER::fVpxcpxa, GEO_PARAMETER::fVpxcpya, GEO_PARAMETER::fVpxcpza, GEO_PARAMETER::fVpxcsa, GEO_PARAMETER::fVpxcsta, GEO_PARAMETER::fVpyad1c, GEO_PARAMETER::fVpyad2c, GEO_PARAMETER::fVpyad3c, GEO_PARAMETER::fVpyad4c, GEO_PARAMETER::fVpyad5c, GEO_PARAMETER::fVpyapxc, GEO_PARAMETER::fVpyapyc, GEO_PARAMETER::fVpyapzc, GEO_PARAMETER::fVpyasc, GEO_PARAMETER::fVpyastc, GEO_PARAMETER::fVpycd1a, GEO_PARAMETER::fVpycd2a, GEO_PARAMETER::fVpycd3a, GEO_PARAMETER::fVpycd4a, GEO_PARAMETER::fVpycd5a, GEO_PARAMETER::fVpycpxa, GEO_PARAMETER::fVpycpya, GEO_PARAMETER::fVpycpza, GEO_PARAMETER::fVpycsa, GEO_PARAMETER::fVpycsta, GEO_PARAMETER::fVpzad1c, GEO_PARAMETER::fVpzad2c, GEO_PARAMETER::fVpzad3c, GEO_PARAMETER::fVpzad4c, GEO_PARAMETER::fVpzad5c, GEO_PARAMETER::fVpzapxc, GEO_PARAMETER::fVpzapyc, GEO_PARAMETER::fVpzapzc, GEO_PARAMETER::fVpzasc, GEO_PARAMETER::fVpzastc, GEO_PARAMETER::fVpzcd1a, GEO_PARAMETER::fVpzcd2a, GEO_PARAMETER::fVpzcd3a, GEO_PARAMETER::fVpzcd4a, GEO_PARAMETER::fVpzcd5a, GEO_PARAMETER::fVpzcpxa, GEO_PARAMETER::fVpzcpya, GEO_PARAMETER::fVpzcpza, GEO_PARAMETER::fVpzcsa, GEO_PARAMETER::fVpzcsta, GEO_PARAMETER::fVsad1c, GEO_PARAMETER::fVsad2c, GEO_PARAMETER::fVsad3c, GEO_PARAMETER::fVsad4c, GEO_PARAMETER::fVsad5c, GEO_PARAMETER::fVsapxc, GEO_PARAMETER::fVsapyc, GEO_PARAMETER::fVsapzc, GEO_PARAMETER::fVsasc, GEO_PARAMETER::fVsastc, GEO_PARAMETER::fVscd1a, GEO_PARAMETER::fVscd2a, GEO_PARAMETER::fVscd3a, GEO_PARAMETER::fVscd4a, GEO_PARAMETER::fVscd5a, GEO_PARAMETER::fVscpxa, GEO_PARAMETER::fVscpya, GEO_PARAMETER::fVscpza, GEO_PARAMETER::fVscsa, GEO_PARAMETER::fVscsta, GEO_PARAMETER::fVsdsa, GEO_PARAMETER::fVsdsc, GEO_PARAMETER::fVspsa, GEO_PARAMETER::fVspsc, GEO_PARAMETER::fVsssa, GEO_PARAMETER::fVsssc, GEO_PARAMETER::fVsstarsa, GEO_PARAMETER::fVsstarsc, GEO_PARAMETER::fVstad1c, GEO_PARAMETER::fVstad2c, GEO_PARAMETER::fVstad3c, GEO_PARAMETER::fVstad4c, GEO_PARAMETER::fVstad5c, GEO_PARAMETER::fVstapxc, GEO_PARAMETER::fVstapyc, GEO_PARAMETER::fVstapzc, GEO_PARAMETER::fVstardsa, GEO_PARAMETER::fVstardsc, GEO_PARAMETER::fVstarpsa, GEO_PARAMETER::fVstarpsc, GEO_PARAMETER::fVstarstarsa, GEO_PARAMETER::fVstarstarsc, GEO_PARAMETER::fVstasc, GEO_PARAMETER::fVstastc, GEO_PARAMETER::fVstcd1a, GEO_PARAMETER::fVstcd2a, GEO_PARAMETER::fVstcd3a, GEO_PARAMETER::fVstcd4a, GEO_PARAMETER::fVstcd5a, GEO_PARAMETER::fVstcpxa, GEO_PARAMETER::fVstcpya, GEO_PARAMETER::fVstcpza, GEO_PARAMETER::fVstcsa, and GEO_PARAMETER::fVstcsta.

Referenced by CKNHamiltonianBuilder::BuildOffsiteMatrixFor10Band().

25 {
26  double fL2 = parameter.fL * parameter.fL;
27  double fM2 = parameter.fM * parameter.fM;
28  double fN2 = parameter.fN * parameter.fN;
29  double fLMN = parameter.fL * parameter.fM * parameter.fN;
30  double fLM = parameter.fL * parameter.fM;
31  double fLN = parameter.fL * parameter.fN;
32  double fMN = parameter.fM * parameter.fN;
33 
34  switch (type)
35  {
37  //%Coupling with <sa|
38  parameter.fVsasc = parameter.fVsssa;
39  parameter.fVsapxc = parameter.fL * parameter.fVspsa;
40  parameter.fVsapyc = parameter.fM * parameter.fVspsa;
41  parameter.fVsapzc = parameter.fN * parameter.fVspsa;
42  parameter.fVsastc = parameter.fVsstarsa;
43  parameter.fVsad1c = sqrt(3.) * fLM * parameter.fVsdsa;
44  parameter.fVsad2c = sqrt(3.) * fMN * parameter.fVsdsa;
45  parameter.fVsad3c = sqrt(3.) * fLN * parameter.fVsdsa;
46  parameter.fVsad4c = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsa;
47  parameter.fVsad5c = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsa;
48 
49  //%Coupling with <pxa |
50  parameter.fVpxasc = -parameter.fL * parameter.fVspsc;
51  parameter.fVpxapxc = fL2 * parameter.fVppsa + (1 - fL2) * parameter.fVpppa;
52  parameter.fVpxapyc = fLM * (parameter.fVppsa - parameter.fVpppa);
53  parameter.fVpxapzc = fLN * (parameter.fVppsa - parameter.fVpppa);
54  parameter.fVpxastc = -parameter.fL * parameter.fVstarpsc;
55  parameter.fVpxad1c = sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsa + parameter.fM * (1 - 2 * fL2) * parameter.fVpdpa;
56  parameter.fVpxad2c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
57  parameter.fVpxad3c = sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsa + parameter.fN * (1 - 2 * fL2) * parameter.fVpdpa;
58  parameter.fVpxad4c = sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsa + parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpa;
59  parameter.fVpxad5c = parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa - sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpa;
60 
61  //%Coupling with <pya |
62  parameter.fVpyasc = -parameter.fM * parameter.fVspsc;
63  parameter.fVpyapxc = fLM * (parameter.fVppsa - parameter.fVpppa);
64  parameter.fVpyapyc = fM2 * parameter.fVppsa + (1 - fM2) * parameter.fVpppa;
65  parameter.fVpyapzc = fMN * (parameter.fVppsa - parameter.fVpppa);
66  parameter.fVpyastc = -parameter.fM * parameter.fVstarpsc;
67  parameter.fVpyad1c = sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsa + parameter.fL * (1 - 2 * fM2) * parameter.fVpdpa;
68  parameter.fVpyad2c = sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsa + parameter.fN * (1 - 2 * fM2) * parameter.fVpdpa;
69  parameter.fVpyad3c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
70  parameter.fVpyad4c = sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsa - parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpa;
71  parameter.fVpyad5c = parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa - sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpa;
72 
73  //%Coupling with <pza |
74  parameter.fVpzasc = -parameter.fN * parameter.fVspsc;
75  parameter.fVpzapxc = fLN * (parameter.fVppsa - parameter.fVpppa);
76  parameter.fVpzapyc = parameter.fN * parameter.fM * (parameter.fVppsa - parameter.fVpppa);
77  parameter.fVpzapzc = fN2 * parameter.fVppsa + (1 - fN2) * parameter.fVpppa;
78  parameter.fVpzastc = -parameter.fN * parameter.fVstarpsc;
79  parameter.fVpzad1c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
80  parameter.fVpzad2c = sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsa + parameter.fM * (1 - 2 * fN2) * parameter.fVpdpa;
81  parameter.fVpzad3c = sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsa + parameter.fL * (1 - 2 * fN2) * parameter.fVpdpa;
82  parameter.fVpzad4c = sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsa - parameter.fN * (fL2 - fM2) * parameter.fVpdpa;
83  parameter.fVpzad5c = parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa + sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpa;
84 
85  //%Coupling with <sta |
86  parameter.fVstasc = parameter.fVsstarsc;
87  parameter.fVstapxc = parameter.fL * parameter.fVstarpsa;
88  parameter.fVstapyc = parameter.fM * parameter.fVstarpsa;
89  parameter.fVstapzc = parameter.fN * parameter.fVstarpsa;
90  parameter.fVstastc = parameter.fVstarstarsa;
91  parameter.fVstad1c = sqrt(3.) * fLM * parameter.fVstardsa;
92  parameter.fVstad2c = sqrt(3.) * fMN * parameter.fVstardsa;
93  parameter.fVstad3c = sqrt(3.) * fLN * parameter.fVstardsa;
94  parameter.fVstad4c = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsa;
95  parameter.fVstad5c = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsa;
96 
97  //%Coupling with <d1a |
98  parameter.fVd1asc = sqrt(3.) * fLM * parameter.fVsdsc;
99  parameter.fVd1apxc = -sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsc - parameter.fM * (1 - 2 * fL2) * parameter.fVpdpc;
100  parameter.fVd1apyc = -sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsc - parameter.fL * (1 - 2 * fM2) * parameter.fVpdpc;
101  parameter.fVd1apzc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
102  parameter.fVd1astc = sqrt(3.) * fLM * parameter.fVstardsc;
103  parameter.fVd1ad1c = 3 * fL2 * fM2 * parameter.fVddsa + (fL2 + fM2 - 4 * fL2 * fM2) * parameter.fVddpa + (fN2 + fL2 * fM2) * parameter.fVddda;
104  parameter.fVd1ad2c = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsa + fLN * (1 - 4 * fM2) * parameter.fVddpa + fLN * (fM2 - 1) * parameter.fVddda;
105  parameter.fVd1ad3c = 3 * fL2 * fMN * parameter.fVddsa + fMN * (1 - 4 * fL2) * parameter.fVddpa + fMN * (fL2 - 1) * parameter.fVddda;
106  parameter.fVd1ad4c = (3. / 2) * parameter.fL*parameter.fM * (fL2 - fM2) * parameter.fVddsa + 2 * fLM * (fM2 - fL2) * parameter.fVddpa + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVddda;
107  parameter.fVd1ad5c = sqrt(3.) * fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpa + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVddda;
108 
109  //%Coupling with <d2a |
110  parameter.fVd2asc = sqrt(3.) * fMN * parameter.fVsdsc;
111  parameter.fVd2apxc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
112  parameter.fVd2apyc = -sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsc - parameter.fN * (1 - 2 * fM2) * parameter.fVpdpc;
113  parameter.fVd2apzc = -sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsc - parameter.fM * (1 - 2 * fN2) * parameter.fVpdpc;
114  parameter.fVd2astc = sqrt(3.) * fMN * parameter.fVstardsc;
115  parameter.fVd2ad1c = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsa + fLN * (1 - 4 * fM2) * parameter.fVddpa + fLN * (fM2 - 1) * parameter.fVddda;
116  parameter.fVd2ad2c = 3 * fN2 * fM2 * parameter.fVddsa + (fN2 + fM2 - 4 * fN2 * fM2) * parameter.fVddpa + (fL2 + fN2 * fM2) * parameter.fVddda;
117  parameter.fVd2ad3c = 3 * fN2 * fLM * parameter.fVddsa + fLM * (1 - 4 * fN2) * parameter.fVddpa + fLM * (fN2 - 1) * parameter.fVddda;
118  parameter.fVd2ad4c = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsa - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpa + fMN * (1 + (1. / 2) * (parameter.fL*parameter.fL - fM2)) * parameter.fVddda;
119  parameter.fVd2ad5c = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVddda;
120 
121  //%Coupling with <d3a |
122  parameter.fVd3asc = sqrt(3.) * fLN * parameter.fVsdsc;
123  parameter.fVd3apxc = -sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsc - parameter.fN * (1 - 2 * fL2) * parameter.fVpdpc;
124  parameter.fVd3apyc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
125  parameter.fVd3apzc = -sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsc - parameter.fL * (1 - 2 * fN2) * parameter.fVpdpc;
126  parameter.fVd3astc = sqrt(3.) * fLN * parameter.fVstardsc;
127  parameter.fVd3ad1c = 3 * fL2 * fMN * parameter.fVddsa + fMN *(1 - 4 * fL2) * parameter.fVddpa + fMN * (fL2 - 1) * parameter.fVddda;
128  parameter.fVd3ad2c = 3 * fN2 * fLM * parameter.fVddsa + fLM * (1 - 4 * fN2) * parameter.fVddpa + fLM * (fN2 - 1) * parameter.fVddda;
129  parameter.fVd3ad3c = 3 * fN2 * fL2 * parameter.fVddsa + (fN2 + fL2 - 4 * fN2 * fL2) * parameter.fVddpa + (fM2 + fN2 * fL2) * parameter.fVddda;
130  parameter.fVd3ad4c = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsa + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpa - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
131  parameter.fVd3ad5c = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVddda;
132 
133  //%Coupling with <d4a |
134  parameter.fVd4asc = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsc;
135  parameter.fVd4apxc = -sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsc - parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpc;
136  parameter.fVd4apyc = -sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsc + parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpc;
137  parameter.fVd4apzc = -sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsc + parameter.fN * (fL2 - fM2) * parameter.fVpdpc;
138  parameter.fVd4astc = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsc;
139  parameter.fVd4ad1c = (3. / 2) * fLM * (fL2 - fM2) * parameter.fVddsa + 2 * fLM * (fM2 - fL2) * parameter.fVddpa + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVddda;
140  parameter.fVd4ad2c = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsa - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpa + fMN * (1 + (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
141  parameter.fVd4ad3c = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsa + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpa - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
142  parameter.fVd4ad4c = (3. / 4) * (fL2 - fM2) * (fL2 - fM2) * parameter.fVddsa + (fL2 + fM2 - (fL2 - fM2) * (fL2 - fM2)) * parameter.fVddpa + (fN2 + (1. / 4) * (fL2 - fM2) * (fL2 - fM2)) * parameter.fVddda;
143  parameter.fVd4ad5c = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpa + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVddda;
144 
145  //%Coupling with <d5a |
146  parameter.fVd5asc = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsc;
147  parameter.fVd5apxc = -parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc + sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpc;
148  parameter.fVd5apyc = -parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc + sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpc;
149  parameter.fVd5apzc = -parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc - sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpc;
150  parameter.fVd5astc = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsc;
151  parameter.fVd5ad1c = sqrt(3.) *fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpa + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVddda;
152  parameter.fVd5ad2c = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVddda;
153  parameter.fVd5ad3c = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVddda;
154  parameter.fVd5ad4c = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpa + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVddda;
155  parameter.fVd5ad5c = (fN2 - (1. / 2) * (fL2 + fM2)) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + 3 * fN2 * (fL2 + fM2) * parameter.fVddpa + (3. / 4) * (fL2 + fM2) * (fL2 + fM2) * parameter.fVddda;
156  break;
157  case CKNGeometricAtom::C:
158  //%Coupling with <sc |
159  parameter.fVscsa = parameter.fVsssc;
160  parameter.fVscpxa = parameter.fL * parameter.fVspsc;
161  parameter.fVscpya = parameter.fM * parameter.fVspsc;
162  parameter.fVscpza = parameter.fN * parameter.fVspsc;
163  parameter.fVscsta = parameter.fVsstarsc;
164  parameter.fVscd1a = sqrt(3.) * fLM * parameter.fVsdsc;
165  parameter.fVscd2a = sqrt(3.) * fMN * parameter.fVsdsc;
166  parameter.fVscd3a = sqrt(3.) * fLN * parameter.fVsdsc;
167  parameter.fVscd4a = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsc;
168  parameter.fVscd5a = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsc;
169 
170  //%Coupling with <pxc |
171  parameter.fVpxcsa = -parameter.fL * parameter.fVspsa;
172  parameter.fVpxcpxa = fL2 * parameter.fVppsc + (1 - fL2) * parameter.fVpppc;
173  parameter.fVpxcpya = fLM * (parameter.fVppsc - parameter.fVpppc);
174  parameter.fVpxcpza = fLN * (parameter.fVppsc - parameter.fVpppc);
175  parameter.fVpxcsta = -parameter.fL * parameter.fVstarpsa;
176  parameter.fVpxcd1a = sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsc + parameter.fM * (1 - 2 * fL2) * parameter.fVpdpc;
177  parameter.fVpxcd2a = sqrt(3.) * fLMN * parameter.fVpdsc - 2 * fLMN * parameter.fVpdpc;
178  parameter.fVpxcd3a = sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsc + parameter.fN * (1 - 2 * fL2) * parameter.fVpdpc;
179  parameter.fVpxcd4a = sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsc + parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpc;
180  parameter.fVpxcd5a = parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc - sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpc;
181 
182  //%Coupling with <pyc |
183  parameter.fVpycsa = -parameter.fM * parameter.fVspsa;
184  parameter.fVpycpxa = fLM * (parameter.fVppsc - parameter.fVpppc);
185  parameter.fVpycpya = fM2 * parameter.fVppsc + (1 - fM2) * parameter.fVpppc;
186  parameter.fVpycpza = fMN * (parameter.fVppsc - parameter.fVpppc);
187  parameter.fVpycsta = -parameter.fM * parameter.fVstarpsa;
188  parameter.fVpycd1a = sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsc + parameter.fL * (1 - 2 * fM2) * parameter.fVpdpc;
189  parameter.fVpycd2a = sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsc + parameter.fN * (1 - 2 * fM2) * parameter.fVpdpc;
190  parameter.fVpycd3a = sqrt(3.) * fLMN * parameter.fVpdsc - 2 * fLMN * parameter.fVpdpc;
191  parameter.fVpycd4a = sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsc - parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpc;
192  parameter.fVpycd5a = parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc - sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpc;
193 
194  //%Coupling with <pzc |
195  parameter.fVpzcsa = -parameter.fN * parameter.fVspsa;
196  parameter.fVpzcpxa = fLN * (parameter.fVppsc - parameter.fVpppc);
197  parameter.fVpzcpya = parameter.fN * parameter.fM * (parameter.fVppsc - parameter.fVpppc);
198  parameter.fVpzcpza = fN2 * parameter.fVppsc + (1 - fN2) * parameter.fVpppc;
199  parameter.fVpzcsta = -parameter.fN * parameter.fVstarpsa;
200  parameter.fVpzcd1a = sqrt(3.) * fLMN * parameter.fVpdsc - 2 * fLMN * parameter.fVpdpc;
201  parameter.fVpzcd2a = sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsc + parameter.fM * (1 - 2 * fN2) * parameter.fVpdpc;
202  parameter.fVpzcd3a = sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsc + parameter.fL * (1 - 2 * fN2) * parameter.fVpdpc;
203  parameter.fVpzcd4a = sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsc - parameter.fN * (fL2 - fM2) * parameter.fVpdpc;
204  parameter.fVpzcd5a = parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc + sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpc;
205 
206  //%Coupling with <stc |
207  parameter.fVstcsa = parameter.fVsstarsa;
208  parameter.fVstcpxa = parameter.fL * parameter.fVstarpsc;
209  parameter.fVstcpya = parameter.fM * parameter.fVstarpsc;
210  parameter.fVstcpza = parameter.fN * parameter.fVstarpsc;
211  parameter.fVstcsta = parameter.fVstarstarsc;
212  parameter.fVstcd1a = sqrt(3.) * fLM * parameter.fVstardsc;
213  parameter.fVstcd2a = sqrt(3.) * fMN * parameter.fVstardsc;
214  parameter.fVstcd3a = sqrt(3.) * fLN * parameter.fVstardsc;
215  parameter.fVstcd4a = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsc;
216  parameter.fVstcd5a = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsc;
217 
218  //%Coupling with <d1c |
219  parameter.fVd1csa = sqrt(3.) * fLM * parameter.fVsdsa;
220  parameter.fVd1cpxa = -sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsa - parameter.fM * (1 - 2 * fL2) * parameter.fVpdpa;
221  parameter.fVd1cpya = -sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsa - parameter.fL * (1 - 2 * fM2) * parameter.fVpdpa;
222  parameter.fVd1cpza = -sqrt(3.) * fLMN * parameter.fVpdsa + 2 * fLMN * parameter.fVpdpa;
223  parameter.fVd1csta = sqrt(3.) * fLM * parameter.fVstardsa;
224  parameter.fVd1cd1a = 3 * fL2 * fM2 * parameter.fVddsc + (fL2 + fM2 - 4 * fL2 * fM2) * parameter.fVddpc + (fN2 + fL2 * fM2) * parameter.fVdddc;
225  parameter.fVd1cd2a = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsc + fLN * (1 - 4 * fM2) * parameter.fVddpc + fLN * (fM2 - 1) * parameter.fVdddc;
226  parameter.fVd1cd3a = 3 * fL2 * fMN * parameter.fVddsc + fMN * (1 - 4 * fL2) * parameter.fVddpc + fMN * (fL2 - 1) * parameter.fVdddc;
227  parameter.fVd1cd4a = (3. / 2) * parameter.fL*parameter.fM * (fL2 - fM2) * parameter.fVddsc + 2 * fLM * (fM2 - fL2) * parameter.fVddpc + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVdddc;
228  parameter.fVd1cd5a = sqrt(3.) * fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpc + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVdddc;
229 
230  //%Coupling with <d2c |
231  parameter.fVd2csa = sqrt(3.) * fMN * parameter.fVsdsa;
232  parameter.fVd2cpxa = -sqrt(3.) * fLMN * parameter.fVpdsa + 2 * fLMN * parameter.fVpdpa;
233  parameter.fVd2cpya = -sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsa - parameter.fN * (1 - 2 * fM2) * parameter.fVpdpa;
234  parameter.fVd2cpza = -sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsa - parameter.fM * (1 - 2 * fN2) * parameter.fVpdpa;
235  parameter.fVd2csta = sqrt(3.) * fMN * parameter.fVstardsa;
236  parameter.fVd2cd1a = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsc + fLN * (1 - 4 * fM2) * parameter.fVddpc + fLN * (fM2 - 1) * parameter.fVdddc;
237  parameter.fVd2cd2a = 3 * fN2 * fM2 * parameter.fVddsc + (fN2 + fM2 - 4 * fN2 * fM2) * parameter.fVddpc + (fL2 + fN2 * fM2) * parameter.fVdddc;
238  parameter.fVd2cd3a = 3 * fN2 * fLM * parameter.fVddsc + fLM * (1 - 4 * fN2) * parameter.fVddpc + fLM * (fN2 - 1) * parameter.fVdddc;
239  parameter.fVd2cd4a = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsc - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpc + fMN * (1 + (1. / 2) * (parameter.fL*parameter.fL - fM2)) * parameter.fVdddc;
240  parameter.fVd2cd5a = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpc - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVdddc;
241 
242  //%Coupling with <d3c |
243  parameter.fVd3csa = sqrt(3.) * fLN * parameter.fVsdsa;
244  parameter.fVd3cpxa = -sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsa - parameter.fN * (1 - 2 * fL2) * parameter.fVpdpa;
245  parameter.fVd3cpya = -sqrt(3.) * fLMN * parameter.fVpdsa + 2 * fLMN * parameter.fVpdpa;
246  parameter.fVd3cpza = -sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsa - parameter.fL * (1 - 2 * fN2) * parameter.fVpdpa;
247  parameter.fVd3csta = sqrt(3.) * fLN * parameter.fVstardsa;
248  parameter.fVd3cd1a = 3 * fL2 * fMN * parameter.fVddsc + fMN *(1 - 4 * fL2) * parameter.fVddpc + fMN * (fL2 - 1) * parameter.fVdddc;
249  parameter.fVd3cd2a = 3 * fN2 * fLM * parameter.fVddsc + fLM * (1 - 4 * fN2) * parameter.fVddpc + fLM * (fN2 - 1) * parameter.fVdddc;
250  parameter.fVd3cd3a = 3 * fN2 * fL2 * parameter.fVddsc + (fN2 + fL2 - 4 * fN2 * fL2) * parameter.fVddpc + (fM2 + fN2 * fL2) * parameter.fVdddc;
251  parameter.fVd3cd4a = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsc + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpc - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVdddc;
252  parameter.fVd3cd5a = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpc - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVdddc;
253 
254  //%Coupling with <d4c |
255  parameter.fVd4csa = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsa;
256  parameter.fVd4cpxa = -sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsa - parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpa;
257  parameter.fVd4cpya = -sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsa + parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpa;
258  parameter.fVd4cpza = -sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsa + parameter.fN * (fL2 - fM2) * parameter.fVpdpa;
259  parameter.fVd4csta = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsa;
260  parameter.fVd4cd1a = (3. / 2) * fLM * (fL2 - fM2) * parameter.fVddsc + 2 * fLM * (fM2 - fL2) * parameter.fVddpc + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVdddc;
261  parameter.fVd4cd2a = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsc - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpc + fMN * (1 + (1. / 2) * (fL2 - fM2)) * parameter.fVdddc;
262  parameter.fVd4cd3a = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsc + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpc - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVdddc;
263  parameter.fVd4cd4a = (3. / 4) * (fL2 - fM2) * (fL2 - fM2) * parameter.fVddsc + (fL2 + fM2 - (fL2 - fM2) * (fL2 - fM2)) * parameter.fVddpc + (fN2 + (1. / 4) * (fL2 - fM2) * (fL2 - fM2)) * parameter.fVdddc;
264  parameter.fVd4cd5a = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpc + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVdddc;
265 
266  //%Coupling with <d5c |
267  parameter.fVd5csa = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsa;
268  parameter.fVd5cpxa = -parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa + sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpa;
269  parameter.fVd5cpya = -parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa + sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpa;
270  parameter.fVd5cpza = -parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa - sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpa;
271  parameter.fVd5csta = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsa;
272  parameter.fVd5cd1a = sqrt(3.) *fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpc + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVdddc;
273  parameter.fVd5cd2a = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpc - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVdddc;
274  parameter.fVd5cd3a = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpc - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVdddc;
275  parameter.fVd5cd4a = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpc + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVdddc;
276  parameter.fVd5cd5a = (fN2 - (1. / 2) * (fL2 + fM2)) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsc + 3 * fN2 * (fL2 + fM2) * parameter.fVddpc + (3. / 4) * (fL2 + fM2) * (fL2 + fM2) * parameter.fVdddc;
277 
278  break;
279  }/*
280  //%Coupling with <sa|
281  parameter.fVsasc = parameter.fVsssa;
282  parameter.fVsapxc = parameter.fL * parameter.fVspsa;
283  parameter.fVsapyc = parameter.fM * parameter.fVspsa;
284  parameter.fVsapzc = parameter.fN * parameter.fVspsa;
285  parameter.fVsastc = parameter.fVsstarsa;
286  parameter.fVsad1c = sqrt(3.) * fLM * parameter.fVsdsa;
287  parameter.fVsad2c = sqrt(3.) * fMN * parameter.fVsdsa;
288  parameter.fVsad3c = sqrt(3.) * fLN * parameter.fVsdsa;
289  parameter.fVsad4c = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsa;
290  parameter.fVsad5c = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsa;
291 
292  //%Coupling with <pxa |
293  parameter.fVpxasc = -parameter.fL * parameter.fVspsc;
294  parameter.fVpxapxc = fL2 * parameter.fVppsa + (1 - fL2) * parameter.fVpppa;
295  parameter.fVpxapyc = fLM * (parameter.fVppsa - parameter.fVpppa);
296  parameter.fVpxapzc = fLN * (parameter.fVppsa - parameter.fVpppa);
297  parameter.fVpxastc = -parameter.fL * parameter.fVstarpsc;
298  parameter.fVpxad1c = sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsa + parameter.fM * (1 - 2 * fL2) * parameter.fVpdpa;
299  parameter.fVpxad2c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
300  parameter.fVpxad3c = sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsa + parameter.fN * (1 - 2 * fL2) * parameter.fVpdpa;
301  parameter.fVpxad4c = sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsa + parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpa;
302  parameter.fVpxad5c = parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa - sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpa;
303 
304  //%Coupling with <pya |
305  parameter.fVpyasc = -parameter.fM * parameter.fVspsc;
306  parameter.fVpyapxc = fLM * (parameter.fVppsa - parameter.fVpppa);
307  parameter.fVpyapyc = fM2 * parameter.fVppsa + (1 - fM2) * parameter.fVpppa;
308  parameter.fVpyapzc = fMN * (parameter.fVppsa - parameter.fVpppa);
309  parameter.fVpyastc = -parameter.fM * parameter.fVstarpsc;
310  parameter.fVpyad1c = sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsa + parameter.fL * (1 - 2 * fM2) * parameter.fVpdpa;
311  parameter.fVpyad2c = sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsa + parameter.fN * (1 - 2 * fM2) * parameter.fVpdpa;
312  parameter.fVpyad3c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
313  parameter.fVpyad4c = sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsa - parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpa;
314  parameter.fVpyad5c = parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa - sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpa;
315 
316  //%Coupling with <pza |
317  parameter.fVpzasc = -parameter.fN * parameter.fVspsc;
318  parameter.fVpzapxc = fLN * (parameter.fVppsa - parameter.fVpppa);
319  parameter.fVpzapyc = parameter.fN * parameter.fM * (parameter.fVppsa - parameter.fVpppa);
320  parameter.fVpzapzc = fN2 * parameter.fVppsa + (1 - fN2) * parameter.fVpppa;
321  parameter.fVpzastc = -parameter.fN * parameter.fVstarpsc;
322  parameter.fVpzad1c = sqrt(3.) * fLMN * parameter.fVpdsa - 2 * fLMN * parameter.fVpdpa;
323  parameter.fVpzad2c = sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsa + parameter.fM * (1 - 2 * fN2) * parameter.fVpdpa;
324  parameter.fVpzad3c = sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsa + parameter.fL * (1 - 2 * fN2) * parameter.fVpdpa;
325  parameter.fVpzad4c = sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsa - parameter.fN * (fL2 - fM2) * parameter.fVpdpa;
326  parameter.fVpzad5c = parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsa + sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpa;
327 
328  //%Coupling with <sta |
329  parameter.fVstasc = parameter.fVsstarsc;
330  parameter.fVstapxc = parameter.fL * parameter.fVstarpsa;
331  parameter.fVstapyc = parameter.fM * parameter.fVstarpsa;
332  parameter.fVstapzc = parameter.fN * parameter.fVstarpsa;
333  parameter.fVstastc = parameter.fVstarstarsa;
334  parameter.fVstad1c = sqrt(3.) * fLM * parameter.fVstardsa;
335  parameter.fVstad2c = sqrt(3.) * fMN * parameter.fVstardsa;
336  parameter.fVstad3c = sqrt(3.) * fLN * parameter.fVstardsa;
337  parameter.fVstad4c = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsa;
338  parameter.fVstad5c = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsa;
339 
340  //%Coupling with <d1a |
341  parameter.fVd1asc = sqrt(3.) * fLM * parameter.fVsdsc;
342  parameter.fVd1apxc = -sqrt(3.) * fL2 * parameter.fM * parameter.fVpdsc - parameter.fM * (1 - 2 * fL2) * parameter.fVpdpc;
343  parameter.fVd1apyc = -sqrt(3.) * fM2 * parameter.fL * parameter.fVpdsc - parameter.fL * (1 - 2 * fM2) * parameter.fVpdpc;
344  parameter.fVd1apzc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
345  parameter.fVd1astc = sqrt(3.) * fLM * parameter.fVstardsc;
346  parameter.fVd1ad1c = 3 * fL2 * fM2 * parameter.fVddsa + (fL2 + fM2 - 4 * fL2 * fM2) * parameter.fVddpa + (fN2 + fL2 * fM2) * parameter.fVddda;
347  parameter.fVd1ad2c = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsa + fLN * (1 - 4 * fM2) * parameter.fVddpa + fLN * (fM2 - 1) * parameter.fVddda;
348  parameter.fVd1ad3c = 3 * fL2 * fMN * parameter.fVddsa + fMN * (1 - 4 * fL2) * parameter.fVddpa + fMN * (fL2 - 1) * parameter.fVddda;
349  parameter.fVd1ad4c = (3. / 2) * parameter.fL*parameter.fM * (fL2 - fM2) * parameter.fVddsa + 2 * fLM * (fM2 - fL2) * parameter.fVddpa + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVddda;
350  parameter.fVd1ad5c = sqrt(3.) * fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpa + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVddda;
351 
352  //%Coupling with <d2a |
353  parameter.fVd2asc = sqrt(3.) * fMN * parameter.fVsdsc;
354  parameter.fVd2apxc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
355  parameter.fVd2apyc = -sqrt(3.) * fM2 * parameter.fN * parameter.fVpdsc - parameter.fN * (1 - 2 * fM2) * parameter.fVpdpc;
356  parameter.fVd2apzc = -sqrt(3.) * fN2 * parameter.fM * parameter.fVpdsc - parameter.fM * (1 - 2 * fN2) * parameter.fVpdpc;
357  parameter.fVd2astc = sqrt(3.) * fMN * parameter.fVstardsc;
358  parameter.fVd2ad1c = 3 * parameter.fL * fM2 * parameter.fN * parameter.fVddsa + fLN * (1 - 4 * fM2) * parameter.fVddpa + fLN * (fM2 - 1) * parameter.fVddda;
359  parameter.fVd2ad2c = 3 * fN2 * fM2 * parameter.fVddsa + (fN2 + fM2 - 4 * fN2 * fM2) * parameter.fVddpa + (fL2 + fN2 * fM2) * parameter.fVddda;
360  parameter.fVd2ad3c = 3 * fN2 * fLM * parameter.fVddsa + fLM * (1 - 4 * fN2) * parameter.fVddpa + fLM * (fN2 - 1) * parameter.fVddda;
361  parameter.fVd2ad4c = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsa - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpa + fMN * (1 + (1. / 2) * (parameter.fL*parameter.fL - fM2)) * parameter.fVddda;
362  parameter.fVd2ad5c = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVddda;
363 
364  //%Coupling with <d3a |
365  parameter.fVd3asc = sqrt(3.) * fLN * parameter.fVsdsc;
366  parameter.fVd3apxc = -sqrt(3.) * fL2 * parameter.fN * parameter.fVpdsc - parameter.fN * (1 - 2 * fL2) * parameter.fVpdpc;
367  parameter.fVd3apyc = -sqrt(3.) * fLMN * parameter.fVpdsc + 2 * fLMN * parameter.fVpdpc;
368  parameter.fVd3apzc = -sqrt(3.) * fN2 * parameter.fL * parameter.fVpdsc - parameter.fL * (1 - 2 * fN2) * parameter.fVpdpc;
369  parameter.fVd3astc = sqrt(3.) * fLN * parameter.fVstardsc;
370  parameter.fVd3ad1c = 3 * fL2 * fMN * parameter.fVddsa + fMN *(1 - 4 * fL2) * parameter.fVddpa + fMN * (fL2 - 1) * parameter.fVddda;
371  parameter.fVd3ad2c = 3 * fN2 * fLM * parameter.fVddsa + fLM * (1 - 4 * fN2) * parameter.fVddpa + fLM * (fN2 - 1) * parameter.fVddda;
372  parameter.fVd3ad3c = 3 * fN2 * fL2 * parameter.fVddsa + (fN2 + fL2 - 4 * fN2 * fL2) * parameter.fVddpa + (fM2 + fN2 * fL2) * parameter.fVddda;
373  parameter.fVd3ad4c = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsa + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpa - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
374  parameter.fVd3ad5c = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVddda;
375 
376  //%Coupling with <d4a |
377  parameter.fVd4asc = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVsdsc;
378  parameter.fVd4apxc = -sqrt(3.) / 2 * parameter.fL * (fL2 - fM2) * parameter.fVpdsc - parameter.fL * (1 - fL2 + fM2) * parameter.fVpdpc;
379  parameter.fVd4apyc = -sqrt(3.) / 2 * parameter.fM * (fL2 - fM2) * parameter.fVpdsc + parameter.fM * (1 - fM2 + fL2) * parameter.fVpdpc;
380  parameter.fVd4apzc = -sqrt(3.) / 2 * parameter.fN * (fL2 - fM2) * parameter.fVpdsc + parameter.fN * (fL2 - fM2) * parameter.fVpdpc;
381  parameter.fVd4astc = sqrt(3.) / 2 * (fL2 - fM2) * parameter.fVstardsc;
382  parameter.fVd4ad1c = (3. / 2) * fLM * (fL2 - fM2) * parameter.fVddsa + 2 * fLM * (fM2 - fL2) * parameter.fVddpa + (1. / 2) * fLM * (fL2 - fM2) * parameter.fVddda;
383  parameter.fVd4ad2c = (3. / 2) * fMN * (fL2 - fM2) * parameter.fVddsa - fMN * (1 + 2 * (fL2 - fM2)) * parameter.fVddpa + fMN * (1 + (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
384  parameter.fVd4ad3c = (3. / 2) * fLN * (fL2 - fM2) * parameter.fVddsa + fLN * (1 - 2 * (fL2 - fM2)) * parameter.fVddpa - fLN * (1 - (1. / 2) * (fL2 - fM2)) * parameter.fVddda;
385  parameter.fVd4ad4c = (3. / 4) * (fL2 - fM2) * (fL2 - fM2) * parameter.fVddsa + (fL2 + fM2 - (fL2 - fM2) * (fL2 - fM2)) * parameter.fVddpa + (fN2 + (1. / 4) * (fL2 - fM2) * (fL2 - fM2)) * parameter.fVddda;
386  parameter.fVd4ad5c = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpa + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVddda;
387 
388  //%Coupling with <d5a |
389  parameter.fVd5asc = (fN2 - (fL2 + fM2) / 2) * parameter.fVsdsc;
390  parameter.fVd5apxc = -parameter.fL * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc + sqrt(3.) * parameter.fL * fN2 * parameter.fVpdpc;
391  parameter.fVd5apyc = -parameter.fM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc + sqrt(3.) * parameter.fM * fN2 * parameter.fVpdpc;
392  parameter.fVd5apzc = -parameter.fN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVpdsc - sqrt(3.) * parameter.fN * (fL2 + fM2) * parameter.fVpdpc;
393  parameter.fVd5astc = (fN2 - (fL2 + fM2) / 2) * parameter.fVstardsc;
394  parameter.fVd5ad1c = sqrt(3.) *fLM * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa - 2 * sqrt(3.) * fLM * fN2 * parameter.fVddpa + sqrt(3.) / 2 * fLM * (1 + fN2) * parameter.fVddda;
395  parameter.fVd5ad2c = sqrt(3.) * fMN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fMN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fMN * (fL2 + fM2) * parameter.fVddda;
396  parameter.fVd5ad3c = sqrt(3.) * fLN * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fLN * (fL2 + fM2 - fN2) * parameter.fVddpa - sqrt(3.) / 2 * fLN * (fL2 + fM2) * parameter.fVddda;
397  parameter.fVd5ad4c = sqrt(3.) / 2 * (fL2 - fM2) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + sqrt(3.) * fN2 * (fM2 - fL2) * parameter.fVddpa + sqrt(3.) / 4 * (1 + fN2) * (fL2 - fM2) * parameter.fVddda;
398  parameter.fVd5ad5c = (fN2 - (1. / 2) * (fL2 + fM2)) * (fN2 - (1. / 2) * (fL2 + fM2)) * parameter.fVddsa + 3 * fN2 * (fL2 + fM2) * parameter.fVddpa + (3. / 4) * (fL2 + fM2) * (fL2 + fM2) * parameter.fVddda;
399  */
400 }
double fVd5cd5a
--------------------— To this point generated by twoCenterl

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The documentation for this class was generated from the following files: