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searching for Hartree–Fock method 11 found (118 total)

alternate case: hartree–Fock method

Computational chemical methods in solid-state physics (231 words) [view diff] exact match in snippet view article find links to article

entire list of points in the Brillouin zone. Calculations can use the HartreeFock method, some post-Hartree–Fock methods, particularly Møller–Plesset perturbation
Unrestricted Hartree–Fock (783 words) [view diff] exact match in snippet view article find links to article
Coulson–Fischer point). Despite this drawback, the unrestricted HartreeFock method is used frequently, and in preference to the restricted open-shell
COSMO solvation model (923 words) [view diff] no match in snippet view article find links to article
molecule can be determined, for example semiempirical calculations, HartreeFock-method calculations or density functional theory (quantum physics) calculations
Nuclear 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 HartreeFock method explains why it is called also the variational approach. At the beginning
Kim 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 Baldridge
Adolfas 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 Atoms
SPECfp (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:1992AdQC
Fort 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 HartreeFock method of approximating n-body wavefunctions Sir John Lennard-Jones, devisor
Ab 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 HartreeFock method is inadequate and this single-determinant reference function is not
Density 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 HartreeFock method. If there are N {\displaystyle N} electrons filling the N {\displaystyle