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Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+
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UNSPECIFIED (1997) Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+. CHEMICAL PHYSICS LETTERS, 264 (1-2). pp. 134-138. ISSN 0009-2614
Full text not available from this repository.Abstract
This paper presents a comprehensive theoretical treatment of the low-lying electronic states of the molecular ion AsCl+ correlating with the lowest dissociation asymptote As+ (P-3) + Cl(P-2). All-electron CASSCF + CI calculations have been made with averaged atomic natural orbital basis sets. There are four bound states, namely X(2) Pi, A(2) Pi, 1(4) Sigma(-) and 1(4) Pi. Spectroscopic constants are calculated for the bound states and are in good agreement with experimental data for the doubler states.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
| Journal or Publication Title: | CHEMICAL PHYSICS LETTERS |
| Publisher: | ELSEVIER SCIENCE BV |
| ISSN: | 0009-2614 |
| Date: | 3 January 1997 |
| Volume: | 264 |
| Number: | 1-2 |
| Number of Pages: | 5 |
| Page Range: | pp. 134-138 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/18069 |
Data sourced from Thomson Reuters' Web of Knowledge
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