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Results: 1-8 |
Results: 8
MOLECULAR-EXCITATION ENERGIES TO HIGH-LYING BOUND-STATES FROM TIME-DEPENDENT DENSITY-FUNCTIONAL RESPONSE THEORY - CHARACTERIZATION AND CORRECTION OF THE TIME-DEPENDENT LOCAL-DENSITY APPROXIMATION IONIZATION THRESHOLD
Authors: CASIDA ME JAMORSKI C CASIDA KC SALAHUB DR
Citation: Me. Casida et al., MOLECULAR-EXCITATION ENERGIES TO HIGH-LYING BOUND-STATES FROM TIME-DEPENDENT DENSITY-FUNCTIONAL RESPONSE THEORY - CHARACTERIZATION AND CORRECTION OF THE TIME-DEPENDENT LOCAL-DENSITY APPROXIMATION IONIZATION THRESHOLD, The Journal of chemical physics, 108(11), 1998, pp. 4439-4449
EXCITED-STATE POTENTIAL-ENERGY CURVES FROM TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY - A CROSS-SECTION OF FORMALDEHYDES (1)A(1) MANIFOLD
Authors: CASIDA ME CASIDA KC SALAHUB DR
Citation: Me. Casida et al., EXCITED-STATE POTENTIAL-ENERGY CURVES FROM TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY - A CROSS-SECTION OF FORMALDEHYDES (1)A(1) MANIFOLD, International journal of quantum chemistry, 70(4-5), 1998, pp. 933-941
THE PARAMETRIZED 2ND-ORDER GREEN-FUNCTION TIMES SCREENED INTERACTION (PGW2) APPROXIMATION FOR CALCULATION OF OUTER VALENCE IONIZATION-POTENTIALS
Authors: HU CH CHONG DP CASIDA ME
Citation: Ch. Hu et al., THE PARAMETRIZED 2ND-ORDER GREEN-FUNCTION TIMES SCREENED INTERACTION (PGW2) APPROXIMATION FOR CALCULATION OF OUTER VALENCE IONIZATION-POTENTIALS, Journal of electron spectroscopy and related phenomena, 85(1-2), 1997, pp. 39-46
DYNAMIC POLARIZABILITIES AND EXCITATION-SPECTRA FROM A MOLECULAR IMPLEMENTATION OF TIME-DEPENDENT DENSITY-FUNCTIONAL RESPONSE THEORY - N-2 AS A CASE-STUDY
Authors: JAMORSKI C CASIDA ME SALAHUB DR
Citation: C. Jamorski et al., DYNAMIC POLARIZABILITIES AND EXCITATION-SPECTRA FROM A MOLECULAR IMPLEMENTATION OF TIME-DEPENDENT DENSITY-FUNCTIONAL RESPONSE THEORY - N-2 AS A CASE-STUDY, The Journal of chemical physics, 104(13), 1996, pp. 5134-5147
GENERALIZATION OF THE OPTIMIZED-EFFECTIVE-POTENTIAL MODEL TO INCLUDE ELECTRON CORRELATION - A VARIATIONAL DERIVATION OF THE SHAM-SCHLUTER EQUATION FOR THE EXACT EXCHANGE-CORRELATION POTENTIAL
Authors: CASIDA ME
Citation: Me. Casida, GENERALIZATION OF THE OPTIMIZED-EFFECTIVE-POTENTIAL MODEL TO INCLUDE ELECTRON CORRELATION - A VARIATIONAL DERIVATION OF THE SHAM-SCHLUTER EQUATION FOR THE EXACT EXCHANGE-CORRELATION POTENTIAL, Physical review. A, 51(3), 1995, pp. 2005-2013
ALL-ELECTRON LOCAL AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL CALCULATIONS OF NA-N DIPOLE POLARIZABILITIES FOR N=1-6
Authors: GUAN JG CASIDA ME KOSTER AM SALAHUB DR
Citation: Jg. Guan et al., ALL-ELECTRON LOCAL AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL CALCULATIONS OF NA-N DIPOLE POLARIZABILITIES FOR N=1-6, Physical review. B, Condensed matter, 52(3), 1995, pp. 2184-2200
ASSESSMENT OF KOHN-SHAM DENSITY-FUNCTIONAL ORBITALS AS APPROXIMATE DYSON ORBITALS FOR THE CALCULATION OF ELECTRON-MOMENTUM-SPECTROSCOPY SCATTERING CROSS-SECTIONS
Authors: DUFFY P CHONG DP CASIDA ME SALAHUB DR
Citation: P. Duffy et al., ASSESSMENT OF KOHN-SHAM DENSITY-FUNCTIONAL ORBITALS AS APPROXIMATE DYSON ORBITALS FOR THE CALCULATION OF ELECTRON-MOMENTUM-SPECTROSCOPY SCATTERING CROSS-SECTIONS, Physical review. A, 50(6), 1994, pp. 4707-4728
NUCLEAR-MAGNETIC-RESONANCE SHIELDING TENSORS CALCULATED WITH A SUM-OVER-STATES DENSITY-FUNCTIONAL PERTURBATION-THEORY
Authors: MALKIN VG MALKINA OL CASIDA ME SALAHUB DR
Citation: Vg. Malkin et al., NUCLEAR-MAGNETIC-RESONANCE SHIELDING TENSORS CALCULATED WITH A SUM-OVER-STATES DENSITY-FUNCTIONAL PERTURBATION-THEORY, Journal of the American Chemical Society, 116(13), 1994, pp. 5898-5908
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