A backtracking algorithm for exact counting of internal molecular energy levels

M.J.H. Kemper, J.M.F. van Dijk, H.M. Buck

Research output: Contribution to journalArticleAcademicpeer-review

43 Citations (Scopus)

Abstract

An algorithm is described for counting exactly internal molecular energy levels. Difficulties in the concept of the density of states are reinvestigated. The influence of anharmonicity is shortly discussed and it is shown that reliable densities can only be obtained for low energies if anharmonicity constants are used.
Original languageEnglish
Pages (from-to)121-124
Number of pages4
JournalChemical Physics Letters
Volume53
Issue number1
DOIs
Publication statusPublished - 1978

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