J. M. André, J. Delhalle, Christian Lamotte
Abstract
Abstract Detailed numerical studies of the four related methods: Restricted Hartree‐Fock (RHF), Unrestricted Hartree‐Fock (UHF), Projected Hartree‐Fock (PHF) and Extended Hartree‐Fock (EHF) have been made for the hydrogen molecule using the Floating Spherical Gaussian Orbital (FSGO) technique.
OpenAlex reports 1 citations for this work. Citation counts describe recorded attention and do not establish research quality.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
Abstract Detailed numerical studies of the four related methods: Restricted Hartree‐Fock (RHF), Unrestricted Hartree‐Fock (UHF), Projected Hartree‐Fock (PHF) and Extended Hartree‐Fock (EHF) have been made for the hydrogen molecule using the Floating Spherical Gaussian Orbital (FSGO) technique.
Key concepts: Hartree–Fock method, Atomic orbital, Gaussian, Molecular orbital, Physics, Atomic physics, Quantum mechanics, Molecule