Export 7 results:
Filters: Keyword is EXCHANGE-CORRELATION POTENTIALS  [Clear All Filters]
Chong, D. P. Theoretical Study Of The Electronic Spectra Of S-Triazine Vapour. Canadian Journal of Chemistry-Revue Canadienne De Chimie 2009, 87, 1148-1153.
Chong, D. P. ; Segala, M. ; Takahata, Y. ; Baerends, E. J. Density Functional Theory Calculation Of 2P Spectra Of Sih4, Ph3, H2S, Hcl, And Ar. International Journal of Quantum Chemistry 2008, 108, 1358-1368.
Zhou, B. J. ; Wang, Y. A. ; Carter*, E. A. Transferable Local Pseudopotentials Derived Via Inversion Of The Kohn-Sham Equations In A Bulk Environment. Phys. Rev. B 2004, 69, 125109.
Chong, D. P. ; Gritsenko, O. V. ; Baerends, E. J. Interpretation Of The Kohn-Sham Orbital Energies As Approximate Vertical Ionization Potentials. Journal of Chemical Physics 2002, 116, 1760-1772.