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COMPARISON OF LOCAL DENSITY FUNCTIONAL, HARTREE-FOCK AND CONFIGURATION INTERACTION IN THE STO-3G ORBITAL BASIS FOR SOME FIRST-ROW DIATOMICS

Author
GRIMLEY TB; JYOTHI BHASU VC
UNIV. LIVERPOOL, DONNAN LAB./LIVERPOOL L69 3BX/GBR
Source
JOURNAL OF PHYSICS B: ATOMIC AND MOLECULAR PHYSICS; ISSN 0022-3700; GBR; DA. 1983; VOL. 16; NO 7; PP. 1125-1131; BIBL. 14 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE ETUDE COMPARATIVE THEORIE HARTREE FOCK METHODE CI COMPOSE MINERAL MOLECULE DIATOMIQUE LONGUEUR LIAISON TRANSITION VIBRATIONNELLE ENERGIE TRANSITION HYDROGENE MOLECULE LITHIUM MOLECULE AZOTE MOLECULE FLUOR MOLECULE FONCTIONNELLE DENSITE LOCALE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY COMPARATIVE STUDY HARTREE FOCK THEORY CI METHOD INORGANIC COMPOUND DIATOMIC MOLECULE BOND LENGTH VIBRATIONAL TRANSITION TRANSITION ENERGY HYDROGEN MOLECULES LITHIUM MOLECULES NITROGEN MOLECULES FLUORINE MOLECULES MOLECULAR PHYSICS ATOMIC PHYSICS
Keyword (es)
FISICA MOLECULAR FISICA ATOMICA
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics

Discipline
Atomic and molecular physics
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
PASCAL83X0442576

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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