OneBodyAOInt

class psi4.core.OneBodyAOInt

Bases: pybind11_object

Basis class for all one-electron integrals

Attributes Summary

basis

The basis set on center one

basis1

The basis set on center one

basis2

The basis set on center two

origin

The origin about which the one body ints are being computed.

Methods Summary

compute_shell(self, arg0, arg1)

Compute integrals between basis functions in the given shell pair

Attributes Documentation

basis

The basis set on center one

basis1

The basis set on center one

basis2

The basis set on center two

origin

The origin about which the one body ints are being computed.

Methods Documentation

compute_shell(self: psi4.core.OneBodyAOInt, arg0: int, arg1: int) None

Compute integrals between basis functions in the given shell pair