Concept information
Terme préférentiel
Hartree-Fock calculation
Définition(s)
- In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state. The Hartree–Fock method often assumes that the exact N-body wave function of the system can be approximated by a single Slater determinant (in the case where the particles are fermions) or by a single permanent (in the case of bosons) of N spin-orbitals. By invoking the variational method, one can derive a set of N-coupled equations for the N spin orbitals. A solution of these equations yields the Hartree–Fock wave function and energy of the system. (Wikipedia, The Free Encyclopedia, https://en.wikipedia.org/wiki/Hartree%E2%80%93Fock_method)
Concept(s) générique(s)
Synonyme(s)
- Hartree approximation
- Hartree-Fock approximation
- Hartree-Fock method
- HF calculation
Traductions
-
français
-
calcul HF
-
méthode de Hartree-Fock
URI
http://data.loterre.fr/ark:/67375/MDL-GPMQWN07-2
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}