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HAMILTONIAN OPERATOR [2 records]
Record 1 - internal organization data 2014-11-24
Record 1, English
Record 1, Subject field(s)
- Artificial Intelligence
- Atomic Physics
Record 1, Main entry term, English
- ab initio method
1, record 1, English, ab%20initio%20method
correct
Record 1, Abbreviations, English
Record 1, Synonyms, English
Record 1, Textual support, English
Record number: 1, Textual support number: 1 DEF
A quantum chemical computation procedure that explicitly includes all electrons and utilizes their full Hamiltonian operator; occasionally used to describe pseudopotential methods or other approaches with minimal semi-empirical input. 1, record 1, English, - ab%20initio%20method
Record 1, French
Record 1, Domaine(s)
- Intelligence artificielle
- Physique atomique
Record 1, Main entry term, French
- méthode ab initio
1, record 1, French, m%C3%A9thode%20ab%20initio
correct, feminine noun
Record 1, Abbreviations, French
Record 1, Synonyms, French
Record 1, Textual support, French
Record number: 1, Textual support number: 1 CONT
Les méthodes ab initio sont basées sur la résolution approchée de l'équation de Schrödinger. Elles ne nécessitent pas l'introduction de paramètres empiriques et sont en principe les plus proches des réalités physiques étudiées. En raison de leur difficulté de mise en œuvre, elles sont utilisées pour déterminer les caractéristiques physiques statiques de systèmes dans des configurations atomiques données. On peut utiliser les méthodes ab initio pour calculer des grandeurs comme des énergies de surface, des énergies de formation de défauts ponctuels ou de petits amas de défauts ponctuels, des barrières d'énergie pour la diffusion des défauts et par là même des atomes. 1, record 1, French, - m%C3%A9thode%20ab%20initio
Record 1, Spanish
Record 1, Textual support, Spanish
Record 2 - internal organization data 2000-08-29
Record 2, English
Record 2, Subject field(s)
- Mathematics
- Computer Graphics
Record 2, Main entry term, English
- Hamiltonian
1, record 2, English, Hamiltonian
correct, noun
Record 2, Abbreviations, English
Record 2, Synonyms, English
- Hamiltonian operator 2, record 2, English, Hamiltonian%20operator
correct
Record 2, Textual support, English
Record number: 2, Textual support number: 1 DEF
The energy operator that gives the energy eigenstates and that is a counterpart of the Hamiltonain function in classical mechanics. 2, record 2, English, - Hamiltonian
Record 2, French
Record 2, Domaine(s)
- Mathématiques
- Infographie
Record 2, Main entry term, French
- hamiltonien
1, record 2, French, hamiltonien
correct, masculine noun
Record 2, Abbreviations, French
Record 2, Synonyms, French
Record 2, Textual support, French
Record number: 2, Textual support number: 1 DEF
Pour un système dynamique, opérateur agissant dans un espace hilbertien, qui représente la grandeur énergie. 1, record 2, French, - hamiltonien
Record number: 2, Textual support number: 1 OBS
Du nom de W.R. Hamilton (1805-1865), mathématicien et physicien irlandais inventeur des quaternions. 1, record 2, French, - hamiltonien
Record number: 2, Textual support number: 1 PHR
hamiltonien d'un mouvement, d'un système. 1, record 2, French, - hamiltonien
Record 2, Spanish
Record 2, Textual support, Spanish
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