Publications

188 results for P.S. Bagus

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
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