Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376127 | Chemical Physics | 2007 | 7 Pages |
Abstract
Accurate energy ab initio calculations have been performed for three lowest electronic states of He3+ using the internally contracted multireference configuration interaction (icMRCI) method and an augmented correlation-consistent basis set of atomic orbitals. A broad range of He3+ geometries has been considered and the calculated energies have been represented analytically. The present results are thoroughly checked in comparison with data available in the literature.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ivana Paidarová, Rudolf Polák, Barbora PaulÃková, FrantiÅ¡ek Karlický, Karel Oleksy, Daniel HrivÅák, Florent Xavier Gadéa, René Kalus,