Fast Hartree-Fock calculations by simulated dynamics. II: An efficient, stable, and accurate algorithm for molecules
- Author
- VIANNA, R. O; CHACHAM, H; MOHALLEM, J. R
Univ. federal Minas, dep. física, ICEx, 30161 Belo Horizonte, Brazil - Source
The Journal of chemical physics. 1993, Vol 98, Num 8, pp 6395-6400 ; ref : 21 ref
- CODEN
- JCPSA6
- ISSN
- 0021-9606
- Scientific domain
- Atomic molecular physics; Condensed state physics; Polymers, paint and wood industries
- Publisher
- American Institute of Physics, Woodbury, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé minéral Etude théorique Hydrogène Molécule Lithium Hydrure Lithium Molécule Longueur liaison Molécule diatomique Méthode SCF Optimisation Orbitale gaussienne Théorie Hartree Fock Théorème Hellmann Feynman
- Keyword (en)
- Inorganic compound Theoretical study Hydrogen Molecules Lithium Hydrides Lithium Molecules Bond length Diatomic molecule SCF method Optimization Gaussian orbital Hartree Fock theory Hellmann Feynman theorem
- Keyword (es)
- Compuesto inorgánico Estudio teórico Hidrógeno Molécula Litio Hidruro Litio Molécula Longitud enlace Molécula diatómica Método SCF Optimización Orbital gaussiano Teoría Hartree Fock Teorema Hellmann Feynman
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4705727
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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DOI
10.1063/1.464837 
https://dx.doi.org/10.1063/1.464837
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