Class GB4RAlphaIntegralLibInt¶
- Defined in File ints.h
Inheritance Relationships¶
Base Type¶
public GB4IntegralLibInt
(Class GB4IntegralLibInt)
Class Documentation¶
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class
GB4RAlphaIntegralLibInt
: public GB4IntegralLibInt¶ Gaussian electron repulsion four-center integrals.
The potential is r^alpha.
Public Functions
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GB4RAlphaIntegralLibInt
(long max_shell_type, double alpha)¶ Initialize a GB4RAlphaIntegralLibInt object.
- Parameters
max_shell_type
: Highest angular momentum index to be expected in the reset method.alpha
: The power of r in the potential.
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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 r^alpha potential.
See Eq. (49) in Ahlrichs’ paper.
See base class for more details.
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const double
get_alpha
() const¶
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