File AnalyticalDipoleIntegralOverGTOsCalculator.h¶
- Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
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namespace
Scine
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namespace
Sparrow
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class
AnalyticalDipoleIntegralOverGTOsCalculator
Public Functions
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AnalyticalDipoleIntegralOverGTOsCalculator
(int angularMomentumA, int angulatMomentumB, double expA, double expB, const Eigen::Vector3d &Ra, const Eigen::Vector3d &Rb, const Eigen::Vector3d &evaluationCoordinate)¶
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std::array<double, 3>
calculateAnalyticalDipoleElement
()¶
Private Functions
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double
dipoleSS
(int dimension)¶
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double
dipoleSP
(double expA, double Ra, double Rb, int dimension)¶
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double
dipoleSD
(double expA, double expB, double Ra, double Rb, double evaluationCoordinate)¶
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double
dipolePP
(double expA, double expB, double Ra, double Rb, double evaluationCoordinate)¶
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double
dipolePD
(double expA, double expB, double Ra, double Rb, double evaluationCoordinate)¶
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double
dipoleDD
(double expA, double expB, double Ra, double Rb, double evaluationCoordinate)¶
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class
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namespace