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Filters: Keyword is density functional theory  [Clear All Filters]
2009
Zhang, Y. A. ; Wang*, Y. A. Are The Unconventional Density Variations Really Unconventional?. Int. J. Quantum Chem. 2009, 109, 3199-3216.
Zhang, Y. A. ; Wang*, Y. A. Perturbative Total Energy Evaluation In Self-Consistent Field Iterations: Tests On Molecular Systems. J. Chem. Phys. 2009, 130, 144116.
2000
Hu, C. H. ; Chong, D. P. Computational Study Of Vertical Ionization Potentials Using Density Functional Theory And Green’S Function Methods. Journal of the Chinese Chemical Society 2000, 47, 141-147.
1999
Takahata, Y. ; Chong, D. P. Density-Functional Calculations Of Molecular Electron Affinities. Journal of the Brazilian Chemical Society 1999, 10, 354-358.