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
Paper
Publications
26883 results for Science
Evaluation techniques for quantum mechanical integrals
- Tien Chi Chen
- 2009
- International Journal of Quantum Chemistry
PaperGreen'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
PaperPair distribution functions for hard‐sphere mixtures
- E.W. Grundke
- D. Henderson
- 2009
- International Journal of Quantum Chemistry
PaperCorrelation 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
PaperCorrelation effects in electron scattering and attachment by open‐shell atoms
- R.K. Nesbet
- 2009
- International Journal of Quantum Chemistry
PaperPotential curve for linear symmetric H3
- B. Liu
- 2009
- International Journal of Quantum Chemistry
PaperGround 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
PaperTheory of the liquid state
- D. Henderson
- J.A. Barker
- et al.
- 2009
- International Journal of Quantum Chemistry
PaperChemistry and computers
- Enrico Glementi
- 2009
- International Journal of Quantum Chemistry
Paper