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Filters: Keyword is EXCITATION-ENERGIES  [Clear All Filters]
2009
Segala, M. ; Chong, D. P. An Evaluation Of Exchange-Correlation Functionals For The Calculations Of The Ionization Energies For Atoms And Molecules. Journal of Electron Spectroscopy and Related Phenomena 2009, 171, 18-23.
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.
2006
Chong, D. P. ; Takahata, Y. Density Functional Theory Calculation Of Electron Spectra Of Formaldehyde. Chemical Physics Letters 2006, 418, 286-291.
Falzon, C. T. ; Chong, D. P. ; Wang, F. Prediction Of Spectroscopic Constants For Diatomic Molecules In The Ground And Excited States Using Time-Dependent Density Functional Theory. Journal of Computational Chemistry 2006, 27, 163-173.
2004
Zahariev, F. E. ; Wang*, Y. A. Functional Derivative Of The Universal Density Functional In Fock Space. Phys. Rev. A 2004, 70, 042503.