Self-consistent field molecular orbital wavefunctions for the ground and excited states of the PMDA molecule
- C.P. Keijzers
- P.S. Bagus
- et al.
- 2008
- The Journal of Chemical Physics
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188 results for P.S. Bagus
Rydberg Screening in Core Level Photoemission of Ammonia Adsorbed on Nickel Surfaces
- K. Hermann
- P.S. Bagus
- 2007
- Physica Scripta
Ab initio cluster study of the chemisorption of oxygen on an aluminium (111) surface
- R. Broeri
- Inder P. Batra
- et al.
- 2006
- Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
Ab initio SCF and limited CL calculations on the d-d transitions in NiO
- P.S. Bagus
- U. Wahlgren
- 2006
- Molecular Physics
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
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