Class GB4RAlphaIntegralLibInt

Inheritance Relationships

Base Type

Class Documentation

class GB4RAlphaIntegralLibInt : public GB4IntegralLibInt

Gaussian electron repulsion four-center integrals.

The potential is r^alpha.

Public Functions

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.

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.

const double get_alpha() const