Skip to search formSkip to main contentSkip to account menu

Hartree–Fock method

Known as: Self consistent field, Self consistent field method, Hartree-Fock energy 
In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the… 
Wikipedia (opens in a new tab)

Related topics

Related topics

49 relations
Basis set (chemistry)CNDO/2COLUMBUSClemens C. J. Roothaan

Broader (1)

Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2002
2002
Effective Dirac Brueckner-Hartree-Fock method for asymmetric nuclear matter and finite nuclei
A new decomposition of the Dirac structure of nucleon self-energies in the Dirac Brueckner-Hartree-Fock (DBHF) approach is… 
Highly Cited
2000
Highly Cited
2000
Interaction of neutral and zwitterionic glycine with Zn2+ in gas phase: ab initio and SIBFA molecular mechanics calculations
The interaction of Zn2+ with glycine (Gly) in the gas phase is studied by a combination of ab initio and molecular mechanics… 
Highly Cited
1995
Highly Cited
1995
Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)
Highly Cited
1994
Highly Cited
1994
The triple-pomeron regime and structure function of the pomeron in diffractive deep inelastic scattering at very smallx
We develop the novel description of diffractive deep inelastic scattering based on the technique of lightcone wave functions of… 
1993
1993
Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree-Fock theory
We present two new methods for molecular dynamics simulations based on general Hartree–Fock (GHF) theory. The first method… 
Highly Cited
1980
Highly Cited
1980
Abinitio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe
Ab initio self‐consistent field calculations are reported for a series of diatomic molecules using relativistic effective core… 
Highly Cited
1978
Highly Cited
1978
Model study in chemisorption: molecular orbital cluster theory for atomic hydrogen on be(0001)
The interaction between atomic hydrogen and the (0001) surface of Be has been studied by using clusters of Be atoms to simulate… 
Highly Cited
1976
Highly Cited
1976
Electron correlation in small metal clusters. Application of a theory of self‐consistent electron pairs to the Be4 system
A knowledge of the properties of small metal particles is essential to the understanding of catalysis on a molecular level. In… 
1974
1974
Solvent interaction within the Hartree-Fock SCF molecular orbital formalism
A theoretical model is presented by which the effects of a solvent on a molecular system are incorporated into the Hartree-Fock… 
Highly Cited
1966
Highly Cited
1966
Hartree-Fock Calculation for Finite Nuclei with a Nonlocal Two-Body Potential
An application of the Hartree-Fock method to calculation of the structure of finite nuclei is presented. The nonlocal, separable… 
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)