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Results: 1-21 |
Results: 21
STATIC AND DYNAMIC POLARIZABILITIES, CAUCHY COEFFICIENTS AND THEIR ANISOTROPIES - A COMPARISON OF STANDARD METHODS
Authors: VANCAILLIE C AMOS RD
Citation: C. Vancaillie et Rd. Amos, STATIC AND DYNAMIC POLARIZABILITIES, CAUCHY COEFFICIENTS AND THEIR ANISOTROPIES - A COMPARISON OF STANDARD METHODS, Chemical physics letters, 291(1-2), 1998, pp. 71-77
A DENSITY-FUNCTIONAL WATER DIMER POTENTIAL SURFACE
Authors: MOK DKW HANDY NC AMOS RD
Citation: Dkw. Mok et al., A DENSITY-FUNCTIONAL WATER DIMER POTENTIAL SURFACE, Molecular physics, 92(4), 1997, pp. 667-675
TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY APPLIED TO RAMAN-SCATTERING FROM METHANE
Authors: IOANNOU AG AMOS RD
Citation: Ag. Ioannou et Rd. Amos, TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY APPLIED TO RAMAN-SCATTERING FROM METHANE, Chemical physics letters, 279(1-2), 1997, pp. 17-21
THE CALCULATION OF FREQUENCY-DEPENDENT POLARIZABILITIES USING CURRENT-DENSITY FUNCTIONAL THEORY
Authors: IOANNOU AG COLWELL SM AMOS RD
Citation: Ag. Ioannou et al., THE CALCULATION OF FREQUENCY-DEPENDENT POLARIZABILITIES USING CURRENT-DENSITY FUNCTIONAL THEORY, Chemical physics letters, 278(4-6), 1997, pp. 278-284
FINE-STRUCTURE OF THE LOWEST VIBRONIC TRANSITIONS OF NH+
Authors: PALMIERI P TARRONI R AMOS RD
Citation: P. Palmieri et al., FINE-STRUCTURE OF THE LOWEST VIBRONIC TRANSITIONS OF NH+, Journal of physical chemistry, 100(17), 1996, pp. 6958-6965
DYNAMIC CCSD POLARIZABILITIES OF CHF3 AND CHCL3
Authors: KOBAYASHI R AMOS RD KOCH H JORGENSEN P
Citation: R. Kobayashi et al., DYNAMIC CCSD POLARIZABILITIES OF CHF3 AND CHCL3, Chemical physics letters, 253(5-6), 1996, pp. 373-376
THE DIAGONAL BORN-OPPENHEIMER CORRECTION FOR HE-2(-2() AND F+H)
Authors: IOANNOU AG AMOS RD HANDY NC
Citation: Ag. Ioannou et al., THE DIAGONAL BORN-OPPENHEIMER CORRECTION FOR HE-2(-2() AND F+H), Chemical physics letters, 251(1-2), 1996, pp. 52-58
MOLECULAR POLARIZABILITIES - A COMPARISON OF DENSITY-FUNCTIONAL THEORY WITH STANDARD AB-INITIO METHODS
Authors: MCDOWELL SAC AMOS RD HANDY NC
Citation: Sac. Mcdowell et al., MOLECULAR POLARIZABILITIES - A COMPARISON OF DENSITY-FUNCTIONAL THEORY WITH STANDARD AB-INITIO METHODS, Chemical physics letters, 235(1-2), 1995, pp. 1-4
AB-INITIO RO-VIBRATIONAL LEVELS OF H-3(-OPPENHEIMER APPROXIMATION() BEYOND THE BORN)
Authors: DINELLI BM LESUEUR CR TENNYSON J AMOS RD
Citation: Bm. Dinelli et al., AB-INITIO RO-VIBRATIONAL LEVELS OF H-3(-OPPENHEIMER APPROXIMATION() BEYOND THE BORN), Chemical physics letters, 232(3), 1995, pp. 295-300
DOES FULMINIC ACID HAVE A BENT EQUILIBRIUM STRUCTURE
Authors: HANDY NC MURRAY CW AMOS RD
Citation: Nc. Handy et al., DOES FULMINIC ACID HAVE A BENT EQUILIBRIUM STRUCTURE, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 755-762
VIBRATIONAL CONTRIBUTIONS TO STATIC POLARIZABILITIES AND HYPERPOLARIZABILITIES
Authors: COHEN MJ WILLETTS A AMOS RD HANDY NC
Citation: Mj. Cohen et al., VIBRATIONAL CONTRIBUTIONS TO STATIC POLARIZABILITIES AND HYPERPOLARIZABILITIES, The Journal of chemical physics, 100(6), 1994, pp. 4467-4476
LARGE BASIS-SET CALCULATIONS USING BRUECKNER THEORY
Authors: KOBAYASHI R AMOS RD HANDY NC
Citation: R. Kobayashi et al., LARGE BASIS-SET CALCULATIONS USING BRUECKNER THEORY, The Journal of chemical physics, 100(2), 1994, pp. 1375-1379
THE USE OF SYMMETRY IN DIRECT MOLLER-PLESSET 2ND-ORDER CALCULATIONS
Authors: MURRAY CW ANDREWS JS AMOS RD
Citation: Cw. Murray et al., THE USE OF SYMMETRY IN DIRECT MOLLER-PLESSET 2ND-ORDER CALCULATIONS, Theoretica Chimica Acta, 86(3), 1993, pp. 279-284
ELECTRON-DENSITIES FROM THE BRUECKNER DOUBLES METHOD
Authors: VANHEUSDEN CM KOBAYASHI R AMOS RD HANDY NC
Citation: Cm. Vanheusden et al., ELECTRON-DENSITIES FROM THE BRUECKNER DOUBLES METHOD, Theoretica Chimica Acta, 86(1-2), 1993, pp. 25-39
KOHN-SHAM CALCULATIONS ON OPEN-SHELL DIATOMIC-MOLECULES
Authors: LAMING GJ HANDY NC AMOS RD
Citation: Gj. Laming et al., KOHN-SHAM CALCULATIONS ON OPEN-SHELL DIATOMIC-MOLECULES, Molecular physics, 80(5), 1993, pp. 1121-1134
THEORY AND APPLICATIONS OF SPIN-RESTRICTED OPEN-SHELL MOLLER-PLESSET THEORY
Authors: TOZER DJ HANDY NC AMOS RD POPLE JA NOBES RH XIE YM SCHAEFER HF
Citation: Dj. Tozer et al., THEORY AND APPLICATIONS OF SPIN-RESTRICTED OPEN-SHELL MOLLER-PLESSET THEORY, Molecular physics, 79(4), 1993, pp. 777-793
STUDY OF CH4, C2H2, C2H4, AND C6H6 USING KOHN-SHAM THEORY
Authors: HANDY NC MURRAY CW AMOS RD
Citation: Nc. Handy et al., STUDY OF CH4, C2H2, C2H4, AND C6H6 USING KOHN-SHAM THEORY, Journal of physical chemistry, 97(17), 1993, pp. 4392-4396
STRUCTURE AND PROPERTIES OF DISILYNE
Authors: HUHN MM AMOS RD KOBAYASHI R HANDY NC
Citation: Mm. Huhn et al., STRUCTURE AND PROPERTIES OF DISILYNE, The Journal of chemical physics, 98(9), 1993, pp. 7107-7112
A STUDY OF O-3, S-3, CH-2, AND BE-2 USING KOHN-SHAM THEORY WITH ACCURATE QUADRATURE AND LARGE BASIS-SETS
Authors: MURRAY CW HANDY NC AMOS RD
Citation: Cw. Murray et al., A STUDY OF O-3, S-3, CH-2, AND BE-2 USING KOHN-SHAM THEORY WITH ACCURATE QUADRATURE AND LARGE BASIS-SETS, The Journal of chemical physics, 98(9), 1993, pp. 7145-7151
ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE
Authors: HANDY NC TOZER DJ LAMING GJ MURRAY CW AMOS RD
Citation: Nc. Handy et al., ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE, Israel Journal of Chemistry, 33(3), 1993, pp. 331-344
THE DETERMINATION OF HYPERPOLARIZABILITIES USING DENSITY-FUNCTIONAL THEORY
Authors: COLWELL SM MURRAY CW HANDY NC AMOS RD
Citation: Sm. Colwell et al., THE DETERMINATION OF HYPERPOLARIZABILITIES USING DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 210(1-3), 1993, pp. 261-268
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