An ab initio molecular orbital study of the argon hydride molecule-ions, ArH+ and ArD+, at the MP4(SDQ)/6-311++G(3df, 3dp) level. II. The changes in bonding MOs during the Born-Oppenheimer stepwise scan of the internuclear potential energy of the x1Σ+ ground state of the 40Ar1H+ molecule-ion

Bibliographische Detailangaben

Veröffentlicht in:	Chemical physics letters 2001, Vol.350 (1-2), p.181-188
1. Verfasser:	SCHUTTE, C. J. H
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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