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Find link is a tool written by Edward Betts.searching for Hartree–Fock method 11 found (118 total)
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Computational chemical methods in solid-state physics
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entire list of points in the Brillouin zone. Calculations can use the Hartree–Fock method, some post-Hartree–Fock methods, particularly Møller–Plesset perturbationUnrestricted Hartree–Fock (783 words) [view diff] exact match in snippet view article find links to article
Coulson–Fischer point). Despite this drawback, the unrestricted Hartree–Fock method is used frequently, and in preference to the restricted open-shellCOSMO solvation model (923 words) [view diff] no match in snippet view article find links to article
molecule can be determined, for example semiempirical calculations, Hartree–Fock-method calculations or density functional theory (quantum physics) calculationsNuclear structure (4,621 words) [view diff] exact match in snippet view article find links to article
energy of the nucleus and its wavefunction. This short account of the Hartree–Fock method explains why it is called also the variational approach. At the beginningKim K. Baldridge (718 words) [view diff] exact match in snippet view article find links to article
program for calculations including generalized valence bond, the Hartree-Fock method, and density functional theory. Minot State University named BaldridgeAdolfas Jucys (572 words) [view diff] case mismatch in snippet view article find links to article
Fiz. (in Russian). 23 (2): 129–139. A.P. Jucys (1969). "On the Hartree-Fock Method in Multi-Configuration Approximation". Correlation Effects in AtomsSPECfp (759 words) [view diff] no match in snippet view article find links to article
performed using Restricted open-shell Hartree–Fock, the Restricted Hartree Fock method, and Multi-Configuration Self-Consistent Field 433.milc C Physics:Per-Olov Löwdin (3,676 words) [view diff] exact match in snippet view article find links to article
Löwdin, Per-Olov; Mayer, István (1992). Some studies of the general Hartree-Fock method. Advances in Quantum Chemistry. Vol. 24. pp. 79–114. Bibcode:1992AdQCFort Halstead (1,927 words) [view diff] exact match in snippet view article find links to article
after whom the Hartree unit of atomic energy is named, and the Hartree–Fock method of approximating n-body wavefunctions Sir John Lennard-Jones, devisorAb initio quantum chemistry methods (2,538 words) [view diff] exact match in snippet view article find links to article
methods. In some cases, particularly for bond breaking processes, the Hartree–Fock method is inadequate and this single-determinant reference function is notDensity matrix (5,446 words) [view diff] exact match in snippet view article find links to article
usual starting point when building the Slater determinant in the Hartree–Fock method. If there are N {\displaystyle N} electrons filling the N {\displaystyle