SCF CI calculations for vibrational eigenvalues and wavefunctions of systems exhibiting fermi resonance

Todd C. Thompson, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

76 Scopus citations

Abstract

It is shown that configuration-mixing calculations with configurations built from SCF wavefunctions can be used to provide accurate and compact wavefunctions for systems in which the independent-mode approximation breaks down.

Original languageEnglish (US)
Pages (from-to)87-90
Number of pages4
JournalChemical Physics Letters
Volume75
Issue number1
DOIs
StatePublished - 1980

Fingerprint

Dive into the research topics of 'SCF CI calculations for vibrational eigenvalues and wavefunctions of systems exhibiting fermi resonance'. Together they form a unique fingerprint.

Cite this