Configuration interaction study of the positronic hydrogen cyanide molecule

Using the configuration interaction approach, we have revealed that the positronic HCN molecule is energetically stable. The dependency of the positron binding energy on the molecular basis set was studied as well. The use of the basis set constructed explicitly for the sake of polarizability calcul...

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Bibliographic Details
Published inMolecular physics Vol. 104; no. 13-14; pp. 2273 - 2276
Main Authors Chojnacki, Henryk, Strasburger, Krzysztof
Format Journal Article
LanguageEnglish
Published Taylor & Francis Group 10.07.2006
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Summary:Using the configuration interaction approach, we have revealed that the positronic HCN molecule is energetically stable. The dependency of the positron binding energy on the molecular basis set was studied as well. The use of the basis set constructed explicitly for the sake of polarizability calculations shows that the binding energy of positron to HCN can be as big as about 1.3 mhartree. This article is dedicated to Professor Andrzej J. Sadlej on the occasion of his 65th birthday anniversary.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268970600655477