Singlet–triplet splittings as obtained from the Xα‐scattered wave method: A theoretical analysis
- P.S. Bagus
- B.I. Bennett
- 2004
- International Journal of Quantum Chemistry
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188 results for P.S. Bagus
Covalent and ionic contributions to the bonding of atomic and molecular adsorbates on metal surfaces: A cluster model approach
- G. Pacchioni
- P.S. Bagus
- et al.
- 2004
- International Journal of Quantum Chemistry
Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface
- Gianfranco Pacchioni
- Giuseppe Cogliandro
- et al.
- 2004
- International Journal of Quantum Chemistry
Hyperfine interactions in the 5d transition series
- A.J. Freeman
- J.V. Mallow
- et al.
- 2003
- Journal of Applied Physics
Localized and delocalized 1s hole states of the O2+ molecular ion
- Paul S. Bagus
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Accuracy of numerical hartree-fock wavefunctions for heavy atoms
- Paul S. Kelly
- Oscar R. Platas
- et al.
- 2003
- The Journal of Chemical Physics
Lowest 5Σ+ state of FeO: An ab initio investigation
- P.S. Bagus
- H.J.T. Preston
- 2003
- Journal of Chemical Physics
Accurate ab initia calculation of the BeH molecule. I. the X 2Σ+ and A2∏ states
- P.S. Bagus
- C. Moser
- et al.
- 2003
- The Journal of Chemical Physics
Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- Gretchen M. Schwenzer
- Dean H. Liskow
- et al.
- 2003
- The Journal of Chemical Physics
7Σ+ and7∏ states of manganese hydride
- Paul S. Bagus
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics