AB initio calculations on intermolecular forces. The systems He...HF and He...H2O

Research output: Contribution to journalArticle

27 Scopus citations

Abstract

The interaction energy between a He atom and a polar molecule (HF, H2O) is calculated with a gaussian basis set both in the SCF approximation and with the inclusion of the intersystem correlation energy. The long range behaviour of the interaction energy is compared with results from perturbation theory.

Original languageEnglish
Pages (from-to)448-453
Number of pages6
JournalChemical Physics Letters
Volume20
Issue number5
DOIs
StatePublished - Jul 1 1973

Fingerprint Dive into the research topics of 'AB initio calculations on intermolecular forces. The systems He...HF and He...H<sub>2</sub>O'. Together they form a unique fingerprint.

  • Cite this