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Hartree–Fock method
Known as:
Self consistent field
, Self consistent field method
, Hartree-Fock energy
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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
Related topics
49 relations
Basis set (chemistry)
CNDO/2
COLUMBUS
Clemens C. J. Roothaan
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Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2008
Highly Cited
2008
Scioto: A Framework for Global-View Task Parallelism
James Dinan
,
S. Krishnamoorthy
,
D. B. Larkins
,
J. Nieplocha
,
P. Sadayappan
International Conference on Parallel Processing
2008
Corpus ID: 5349911
We introduce Scioto, shared collections of task objects, a lightweight framework for providing task management on distributed…
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2002
2002
Effective Dirac Brueckner-Hartree-Fock method for asymmetric nuclear matter and finite nuclei
Zhong‐yu Ma
,
Ling Liu
2002
Corpus ID: 17601478
A new decomposition of the Dirac structure of nucleon self-energies in the Dirac Brueckner-Hartree-Fock (DBHF) approach is…
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Highly Cited
1995
Highly Cited
1995
Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)
Yuejin Guo
,
W. Goddard
1995
Corpus ID: 16797623
Highly Cited
1994
Highly Cited
1994
The triple-pomeron regime and structure function of the pomeron in diffractive deep inelastic scattering at very smallx
N. Nikolaev
,
B. Zakharov
1994
Corpus ID: 123725720
We develop the novel description of diffractive deep inelastic scattering based on the technique of lightcone wave functions of…
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Highly Cited
1993
Highly Cited
1993
Ab initio study of hydrogen bonding in the phenol–water system
D. Feller
,
M. Feyereisen
Journal of Computational Chemistry
1993
Corpus ID: 39939811
Three hydrogen‐bonded minima on the phenol‐water, C6H5OH—H2O, potential energy surface were located with 3–21G and 6–31G** basis…
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1981
1981
Skyrme-force time-dependent Hartree-Fock calculations with axial symmetry
K. Davies
,
S. Koonin
1981
Corpus ID: 35096967
We discuss axially symmetric time-dependent Hartree-Fock calculations using a finite-range modification of the Skyrme energy…
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Highly Cited
1978
Highly Cited
1978
Model study in chemisorption: molecular orbital cluster theory for atomic hydrogen on be(0001)
C. Bauschlicher
,
P. Bagus
,
H. Schaefer
1978
Corpus ID: 135726368
The interaction between atomic hydrogen and the (0001) surface of Be has been studied by using clusters of Be atoms to simulate…
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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
C. E. Dykstra
,
H. Schaefer
,
W. Meyer
1976
Corpus ID: 94289372
A knowledge of the properties of small metal particles is essential to the understanding of catalysis on a molecular level. In…
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1974
1974
Solvent interaction within the Hartree-Fock SCF molecular orbital formalism
H. Germerjr
1974
Corpus ID: 140026355
A theoretical model is presented by which the effects of a solvent on a molecular system are incorporated into the Hartree-Fock…
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Highly Cited
1966
Highly Cited
1966
Hartree-Fock Calculation for Finite Nuclei with a Nonlocal Two-Body Potential
A. Kerman
,
J. Svenne
,
F. Villars
1966
Corpus ID: 121732663
An application of the Hartree-Fock method to calculation of the structure of finite nuclei is presented. The nonlocal, separable…
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