Electric field and surface charge effects on the vibrational frequency of CO chemisorbed on metal surfaces: Cluster model studies for CO/Cu(100)
- Wolfgang Müller
- Paul S. Bagus
- 2009
- International Journal of Quantum Chemistry
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188 results for P.S. Bagus
Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions
- P.S. Bagus
- A.J. Freeman
- et al.
- 2009
- International Journal of Quantum Chemistry
SCF ab-initio ground state energy surfaces for CO2 and CO 2
- J. Pacansky
- U. Wahlgren
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio force constants for the HCN molecule: SCF and CI results
- U. Wahlgren
- J. Pacansky
- et al.
- 2008
- The Journal of Chemical Physics
A theoretical study of the electronic structure of ferrocene and ferricinium: Application to Mössbauer isomer shifts, ionization potentials, and conformation
- P.S. Bagus
- U.I. Walgren
- et al.
- 2008
- The Journal of Chemical Physics
Force constants for the symmetric stretch motions of acetylene: Accurate ab initio calculations
- P.S. Bagus
- J. Pacansky
- et al.
- 2008
- The Journal of Chemical Physics
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
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