pyscfad.scf#

Hartree-Fock theory

Functions

RHF(mol, **kwargs)

ROHF(mol, **kwargs)

UHF(mol, **kwargs)

Modules

addons

anderson

Anderson mixing

chkfile

cphf

Coupled perturbed Hartree-Fock

diis

DIIS

hf

Restricted Hartree-Fock

hf_lite

Lightweight hf module.

rohf

Restricted open-shell Hartree-Fock

sp2

SP2

uhf

Unrestricted Hartree-Fock