Geometry optimization using local density functional methods
- Author
- DUNLAP, B. I1
[1] Naval res. lab., Washington DC 20375, United States - Conference name
- American chemical society. Meeting (Memphis 1985)
- Source
Journal of physical chemistry (1952). 1986, Vol 90, Num 22, pp 5524-5529 ; ref : dissem
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Agregat ionique Composé minéral Conformation Cyanogène Chlorure Distribution énergie réaction Energie transition Etude théorique Ion positif Lithium Atome Lithium Fluorure Molécule diatomique Molécule triatomique Méthode LCGO Méthode Xalpha Photodissociation Prédissociation Transition vibrationnelle
- Keyword (en)
- Ionic cluster Inorganic compound Conformation Cyanogen Chlorides Reaction energy distribution Transition energy Theoretical study Positive ion Lithium Atoms Lithium Fluorides Diatomic molecule Triatomic molecule LCGO method Xalpha method Photodissociation Predissociation Vibrational transition
- Keyword (es)
- Agregado iónico Compuesto mineral Conformacion Cianógeno Distribución energía reaccion Energía transición Estudio teórico Ión positivo Litio Litio Molécula diatómica Molécula triatómica Método LCGO Método Xalfa Fotodisociacion Predisociación Transición vibracional
- 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) / 001B30A15B Statistical model calculations (including thomas-fermi and thomas-fermi-dirac models)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 8293387
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
10.1021/j100280a010 
https://dx.doi.org/10.1021/j100280a010
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