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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… 
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Related topics

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

Broader (1)

Computational chemistry

Papers overview

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Highly Cited
2008
Highly Cited
2008
Scioto: A Framework for Global-View Task Parallelism
We introduce Scioto, shared collections of task objects, a lightweight framework for providing task management on distributed… 
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
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… 
Highly Cited
1993
Highly Cited
1993
Ab initio study of hydrogen bonding in the phenol–water system
Three hydrogen‐bonded minima on the phenol‐water, C6H5OH—H2O, potential energy surface were located with 3–21G and 6–31G** basis… 
1981
1981
Skyrme-force time-dependent Hartree-Fock calculations with axial symmetry
We discuss axially symmetric time-dependent Hartree-Fock calculations using a finite-range modification of the Skyrme energy… 
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… 
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