Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+
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 0009-2614Full text not available from this repository.
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|
|Date:||3 January 1997|
|Number of Pages:||5|
|Page Range:||pp. 134-138|
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