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
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56 results at International Journal of Quantum Chemistry
Electronic pair correlation in atoms and molecules
- R.K. Nesbet
- 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
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
PaperThe lowest excited states of BH
- Robert S. Mulliken
- 2009
- International Journal of Quantum Chemistry
PaperGreen's function scattering‐theoretic methods for point defects, surfaces, and interfaces in solids
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- J. Bernholc
- et al.
- 2009
- International Journal of Quantum Chemistry
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- 2009
- International Journal of Quantum Chemistry
PaperVariational methods in the computation of energy bands
- Paul M. Marcus
- 2009
- International Journal of Quantum Chemistry
PaperTransition metal atoms in cubic configurations
- R.K. Nesbet
- 2009
- International Journal of Quantum Chemistry
PaperElectron‐intramolecular vibration coupling in TTF‐TCNQ systems
- N.O. Lipari
- M.J. Rice
- et al.
- 2009
- International Journal of Quantum Chemistry
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