Chemistry and computers
- Enrico Glementi
- 2009
- International Journal of Quantum Chemistry
Publications
56 results at International Journal of Quantum Chemistry
The lowest excited states of BH
- Robert S. Mulliken
- 2009
- International Journal of Quantum Chemistry
Electronic pair correlation in atoms and molecules
- R.K. Nesbet
- 2009
- International Journal of Quantum Chemistry
Green's function scattering‐theoretic methods for point defects, surfaces, and interfaces in solids
- S.T. Pantelides
- J. Bernholc
- et al.
- 2009
- International Journal of Quantum Chemistry
Variational methods in the computation of energy bands
- Paul M. Marcus
- 2009
- International Journal of Quantum Chemistry
Ground states of linear molecules: Dissociation energies and dipole moments in the hartree–fock approximation
- M. Yoshimine
- A.D. Mclean
- 2009
- International Journal of Quantum Chemistry
A method for improving the physical realism of first‐principles band structure calculations
- F. Herman
- I.B. Ortenburger
- et al.
- 2009
- International Journal of Quantum Chemistry
Electron pair correlation in atoms and molecules
- R.K. Nesbet
- 2005
- International Journal of Quantum Chemistry
Unrestricted Hartree-Fock then and now
- R.K. Nesbet
- 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