Gianfranco Pacchioni, Carmen Sousa, et al.
Physical Review B
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.
Gianfranco Pacchioni, Carmen Sousa, et al.
Physical Review B
Wolfgang Müller, Paul S. Bagus
International Journal of Quantum Chemistry
Paul S. Bagus, Francesc Illas
Chemical Physics Letters
Gianfranco Pacchioni, Giuseppe Cogliandro, et al.
International Journal of Quantum Chemistry