TwoElectronInt

class psi4.core.TwoElectronInt

Bases: TwoBodyAOInt

Computes two-electron repulsion integrals

Methods Summary

compute_shell(self, arg0, arg1, arg2, arg3)	Compute ERIs between 4 shells
shell_significant(self, arg0, arg1, arg2, arg3)	Determines if the P,Q,R,S shell combination is significant

Methods Documentation

compute_shell(self: psi4.core.TwoElectronInt, arg0: SupportsInt | SupportsIndex, arg1: SupportsInt | SupportsIndex, arg2: SupportsInt | SupportsIndex, arg3: SupportsInt | SupportsIndex) → int

Compute ERIs between 4 shells

shell_significant(self: psi4.core.TwoElectronInt, arg0: SupportsInt | SupportsIndex, arg1: SupportsInt | SupportsIndex, arg2: SupportsInt | SupportsIndex, arg3: SupportsInt | SupportsIndex) → bool

Determines if the P,Q,R,S shell combination is significant