Class GB4IntraDensIntegralLibInt¶
- Defined in File ints.h
Inheritance Relationships¶
Base Type¶
public GB4DIntegralLibInt
(Class GB4DIntegralLibInt)
Class Documentation¶
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class
GB4IntraDensIntegralLibInt
: public GB4DIntegralLibInt¶ Intracular (four-center) density integrals at coordinate point.
The potential is (r - point).
Public Functions
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GB4IntraDensIntegralLibInt
(long max_shell_type, double *point)¶ Initialize a GB4IntraDensIntegralLibInt 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, double *p, double *q, 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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