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ONE-ELECTRON PROPERTIES OF SEVERAL SMALL MOLECULES CALCULATED USING THE LOCAL-DENSITY APPROXIMATION WITHIN DENSITY-FUNCTIONAL THEORY

TitleONE-ELECTRON PROPERTIES OF SEVERAL SMALL MOLECULES CALCULATED USING THE LOCAL-DENSITY APPROXIMATION WITHIN DENSITY-FUNCTIONAL THEORY
Publication TypeJournal Article
Year of Publication1995
AuthorsDuffy, P, Chong, DP, Dupuis, M
JournalJournal of Chemical Physics
Volume102
Pagination3312-3321
Date PublishedFeb
Type of ArticleArticle
ISBN Number0021-9606
KeywordsBASIS-SETS, CORRELATED, DIPOLE MOMENT DERIVATIVES, HARTREE-FOCK LIMIT, HYPERFINE-STRUCTURE, NEON, ORBITALS, POLARIZABILITIES, SPECTROSCOPY, VALENCE, VIBRATIONAL FREQUENCIES, WAVEFUNCTIONS
URL<Go to ISI>://A1995QH96700033