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Filters: Keyword is EXCHANGE-CORRELATION POTENTIALS  [Clear All Filters]
2009
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.
2008
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.
2005
Chong, D. P. Augmenting Basis Set For Time-Dependent Density Functional Theory Calculation Of Excitation Energies: Slater-Type Orbitals For Hydrogen To Krypton. Molecular Physics 2005, 103, 749-761.
2004
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.
2002
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.
1994
Duffy, P. ; Chong, D. P. ; Casida, M. E. ; Salahub, D. R. Assessment Of Kohn-Sham Density-Functional Orbitals As Approximate Dyson Orbitals For The Calculation Of Electron-Momentum-Spectroscopy Scattering Cross-Sections. Physical Review A 1994, 50, 4707-4728.
1991
Casida, M. E. ; Chong, D. P. Simplified Green-Function Approximations - Further Assessment Of A Polarization Model For 2Nd-Order Calculation Of Outer-Valence Ionization-Potentials In Molecules. Physical Review A 1991, 44, 5773-5783.