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Results: 1-6 |
Results: 6

Authors: Vedernikova, I Claeys, M Salahub, DR Casida, ME
Citation: I. Vedernikova et al., Excitation processes in alkali-cationized esters: a molecular orbital study, INT J MASS, 210(1-3), 2001, pp. 21-30

Authors: Hamel, S Casida, ME Salahub, DR
Citation: S. Hamel et al., Assessment of the quality of orbital energies in resolution-of-the-identity Hartree-Fock calculations using deMon auxiliary basis sets, J CHEM PHYS, 114(17), 2001, pp. 7342-7350

Authors: Guan, J Casida, ME Salahub, DR
Citation: J. Guan et al., Time-dependent density-functional theory investigation of excitation spectra of open-shell molecules, J MOL ST-TH, 527, 2000, pp. 229-244

Authors: Casida, ME Salahub, DR
Citation: Me. Casida et Dr. Salahub, Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra, J CHEM PHYS, 113(20), 2000, pp. 8918-8935

Authors: Casida, ME Gutierrez, F Guan, JG Gadea, FX Salahub, D Daudey, JP
Citation: Me. Casida et al., Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration for H-2 and LiH, J CHEM PHYS, 113(17), 2000, pp. 7062-7071

Authors: Casida, ME
Citation: Me. Casida, Correlated optimized effective-potential treatment of the derivative discontinuity and of the highest occupied Kohn-Sham eigenvalue: A Janak-type theorem for the optimized effective-potential model, PHYS REV B, 59(7), 1999, pp. 4694-4698
Risultati: 1-6 |