Potential-Energy Surfaces of CH3+ and CH 3-

R. E. Kari, I. Csizmadia

Research output: Contribution to journalArticle

54 Citations (Scopus)

Abstract

The possibility of decribing accurate Hartree-Fock energy surfaces for CH3+ and CH3- is discussed. The effect of the inclusion of a d-Gaussian-type function (GTF) on the potential-energy surface is studied using basis sets composed of 52 and 58 GTF.

Original languageEnglish
Pages (from-to)1443-1448
Number of pages6
JournalThe Journal of Chemical Physics
Volume50
Issue number3
Publication statusPublished - 1969

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Potential energy surfaces
potential energy
methylidyne
Interfacial energy
surface energy
inclusions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Potential-Energy Surfaces of CH3+ and CH 3-. / Kari, R. E.; Csizmadia, I.

In: The Journal of Chemical Physics, Vol. 50, No. 3, 1969, p. 1443-1448.

Research output: Contribution to journalArticle

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