#include <HermiteCoulombIntegral.hpp>
Collaboration diagram for GQCP::HermiteCoulombIntegral:
Public Member Functions | |
| HermiteCoulombIntegral (const double p, const Vector< double, 3 > &P, const Vector< double, 3 > &C) | |
| double | operator() (const size_t n, const int t, const int u, const int v) const |
Detailed Description
An implementation of the (auxiliary) Hermite Coulomb integral R^n_{tuv}.
Constructor & Destructor Documentation
◆ HermiteCoulombIntegral()
| GQCP::HermiteCoulombIntegral::HermiteCoulombIntegral | ( | const double | p, |
| const Vector< double, 3 > & | P, | ||
| const Vector< double, 3 > & | C | ||
| ) |
- Parameters
-
p The exponent of the Hermite Gaussian. P The center of the Hermite Gaussian. C The nuclear center.
Member Function Documentation
◆ operator()()
| double GQCP::HermiteCoulombIntegral::operator() | ( | const size_t | n, |
| const int | t, | ||
| const int | u, | ||
| const int | v | ||
| ) | const |
Calculate the value for the (auxiliary) Hermite Coulomb integral R^n_{tuv}(p, P, C).
- Parameters
-
n The order of the Hermite Coulomb integral, i.e. the order of the Boys function. t The derivative degree in P_x. u The derivative degree in P_y. v The derivative degree in P_z.
The documentation for this class was generated from the following files:
- /__w/GQCP/GQCP/gqcp/include/Basis/Integrals/Primitive/HermiteCoulombIntegral.hpp
- /__w/GQCP/GQCP/gqcp/src/Basis/Integrals/Primitive/HermiteCoulombIntegral.cpp
