An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hartree-Fock calculations
- P.S. Bagus
- U. Wahlgren
- 1977
- Computers and Chemistry
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
Date
Featured collections
Popular topics
188 results for P.S. Bagus
Ab initio SCF computation of force constants for CO2
- Jacob Pacansky
- Ulf Wahlgren
- et al.
- 1976
- Theoretica Chimica Acta
Hartree-Fock study of the interaction potential of He and Cl+
- K. Hermann
- P.S. Bagus
- 1976
- Chemical Physics Letters
Photoelectron peak intensities and atom/ion overlaps: An analysis of various approximations
- M. Mehta
- C.S. Fadley
- et al.
- 1976
- Chemical Physics Letters
Analysis of energy level shifts in the photoemission spectra of adsorbed molecules: CO on Ni
- P.S. Bagus
- K. Hermann
- 1976
- Solid State Communications
Ultraviolet oscillator strengths for carbon, nitrogen and oxygen ions
- J.V. Mallow
- P.S. Bagus
- 1976
- Journal of Quantitative Spectroscopy and Radiative Transfer
Effects of relativity and of the lanthanide contraction on the atoms from hafnium to bismuth
- Paul S. Bagus
- Yoon S. Lee
- et al.
- 1975
- Chemical Physics Letters
Theoretical analysis of the Auger spectra of CH4
- I.B. Ortenburger
- P.S. Bagus
- 1975
- Physical Review A
Interpretation of the photoemission spectrum of chemisorbed carbon monoxide on Ni (100)
- I.P. Batra
- P.S. Bagus
- 1975
- Solid State Communications
Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone
- I.P. Batra
- P.S. Bagus
- et al.
- 1974
- Theoretica Chimica Acta