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The calculation of vibrational eigenstates by MINRES filter diagonalization

Author
YU, H.-G1 ; SMITH, S. C1
[1] Department of Chemistry, University of Queensland, Brisbane, Qld 4072, Australia
Conference title
Unimolecular reactions
Conference name
Discussion Meeting of the Deutsche-Bunsen-Gesellschaft für Physikalische Chemie (Tutzing 1996-10-21)
Author (monograph)
CRIM, F. F (Editor); TROE, J (Editor)
Deutsche-Bunsen-Gesellschaft, Germany (Funder/Sponsor)
Source

Berichte der Bunsen-Gesellschaft. = Physical chemistry, chemical physics. 1997, Vol 101, Num 3, pp 400-406 ; ref : 32 ref

ISSN
0940-483X
Scientific domain
General chemistry, physical chemistry; Atomic molecular physics
Publisher
Wiley, Weinheim
Publication country
Germany
Document type
Conference Paper
Language
English
Keyword (fr)
Algorithme Composé minéral Etat propre Etat vibrationnel Etude théorique Hydrogénoperoxyde Molécule triatomique Méthode Lanczos Niveau énergie H O HO2
Keyword (en)
Algorithms Inorganic compounds Eigenstates Vibrational states Theoretical study Hydrogenperoxides Triatomic molecule Lanczos method Energy levels
Keyword (es)
Hidrogenoperóxido Molécula triatómica Método Lanczos
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)

Pacs
3115 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
2649682

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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