Class GB4ElectronRepulsionIntegralLibInt¶
- Defined in File ints.h
Inheritance Relationships¶
Base Type¶
public GB4IntegralLibInt
(Class GB4IntegralLibInt)
Class Documentation¶
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class
GB4ElectronRepulsionIntegralLibInt
: public GB4IntegralLibInt¶ Electron repulsion four-center integrals.
The potential is 1/r.
Public Functions
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GB4ElectronRepulsionIntegralLibInt
(long max_shell_type)¶ Initialize a GB4ElectronRepulsionIntegralLibInt object.
- Parameters
max_shell_type
: Highest angular momentum index to be expected in the reset method.
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virtual void
laplace_of_potential
(double prefac, double rho, double t, long mmax, double *output)¶ Evaluate the Laplace transform of the ordinary Coulomb potential.
See Eq. (39) in Ahlrichs’ paper. This is basically a rescaled Boys function.
See base class for more details.
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