Paul S. Bagus, Gianfranco Pacchioni
Rendiconti Lincei
Force constants for CO2 have been evaluated using SCF wave functions. The effect of d basis functions and geometry are investigated. Comparison with experimental values shows that a large error, due to neglect of electron correlation, occurs for the K12 interaction stretch force constant. © 1976 Springer-Verlag.
Paul S. Bagus, Gianfranco Pacchioni
Rendiconti Lincei
Hans Ågren, Björn O. Roos, et al.
The Journal of Chemical Physics
Charles W. Bauschlicher Jr., Paul S. Bagus, et al.
The Journal of Chemical Physics
Paul S. Bagus, Gianfranco Pacchioni
The Journal of Chemical Physics