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Results: 1-25 | 26-29
Results: 1-25/29
COULOMB ENERGIES VIA STEWART DENSITIES
Authors: LEE AM GILL PMW
Citation: Am. Lee et Pmw. Gill, COULOMB ENERGIES VIA STEWART DENSITIES, Chemical physics letters, 286(3-4), 1998, pp. 226-232
EMPIRICAL DENSITY FUNCTIONALS
Authors: ADAMSON RD GILL PMW POPLE JA
Citation: Rd. Adamson et al., EMPIRICAL DENSITY FUNCTIONALS, Chemical physics letters, 284(1-2), 1998, pp. 6-11
OPTIMAL PARTITION OF THE COULOMB OPERATOR
Authors: LEE AM TAYLOR SW DOMBROSKI JP GILL PMW
Citation: Am. Lee et al., OPTIMAL PARTITION OF THE COULOMB OPERATOR, Physical review. A, 55(4), 1997, pp. 3233-3235
EFFECTS OF COULOMB ATTENUATION ON CHEMICAL-PROPERTIES
Authors: ADAMSON RD GILL PMW
Citation: Rd. Adamson et Pmw. Gill, EFFECTS OF COULOMB ATTENUATION ON CHEMICAL-PROPERTIES, Journal of molecular structure. Theochem, 398, 1997, pp. 45-54
AN AB-INITIO STUDY OF ANHARMONICITY AND MATRIX EFFECTS ON THE HYDROGEN-BONDED BRH-NH3 COMPLEX
Authors: DELBENE JE JORDAN MJT GILL PMW BUCKINGHAM AD
Citation: Je. Delbene et al., AN AB-INITIO STUDY OF ANHARMONICITY AND MATRIX EFFECTS ON THE HYDROGEN-BONDED BRH-NH3 COMPLEX, Molecular physics, 92(3), 1997, pp. 429-439
A TENSOR APPROACH TO 2-ELECTRON MATRIX-ELEMENTS
Authors: ADAMS TR ADAMSON RD GILL PMW
Citation: Tr. Adams et al., A TENSOR APPROACH TO 2-ELECTRON MATRIX-ELEMENTS, The Journal of chemical physics, 107(1), 1997, pp. 124-131
A NEW EXPANSION OF THE COULOMB INTERACTION
Authors: GILL PMW
Citation: Pmw. Gill, A NEW EXPANSION OF THE COULOMB INTERACTION, Chemical physics letters, 270(1-2), 1997, pp. 193-195
A NEW GRADIENT-CORRECTED EXCHANGE FUNCTIONAL
Authors: GILL PMW
Citation: Pmw. Gill, A NEW GRADIENT-CORRECTED EXCHANGE FUNCTIONAL, Molecular physics, 89(2), 1996, pp. 433-445
COULOMB-ATTENUATED EXCHANGE ENERGY DENSITY FUNCTIONALS
Authors: GILL PMW ADAMSON RD POPLE JA
Citation: Pmw. Gill et al., COULOMB-ATTENUATED EXCHANGE ENERGY DENSITY FUNCTIONALS, Molecular physics, 88(4), 1996, pp. 1005-1009
EXTRACTION OF STEWART ATOMS FROM ELECTRON-DENSITIES
Authors: GILL PMW
Citation: Pmw. Gill, EXTRACTION OF STEWART ATOMS FROM ELECTRON-DENSITIES, Journal of physical chemistry, 100(38), 1996, pp. 15421-15427
KWIK - COULOMB ENERGIES IN O(N) WORK
Authors: DOMBROSKI JP TAYLOR SW GILL PMW
Citation: Jp. Dombroski et al., KWIK - COULOMB ENERGIES IN O(N) WORK, Journal of physical chemistry, 100(15), 1996, pp. 6272-6276
DENSITY-FUNCTIONAL PARTITIONS
Authors: POPLE JA ADAMSON RD GILL PMW
Citation: Ja. Pople et al., DENSITY-FUNCTIONAL PARTITIONS, Journal of physical chemistry, 100(15), 1996, pp. 6348-6353
A FAMILY OF ATTENUATED COULOMB OPERATORS
Authors: GILL PMW ADAMSON RD
Citation: Pmw. Gill et Rd. Adamson, A FAMILY OF ATTENUATED COULOMB OPERATORS, Chemical physics letters, 261(1-2), 1996, pp. 105-110
CHEMISTRY WITHOUT COULOMB TAILS
Authors: ADAMSON RD DOMBROSKI JP GILL PMW
Citation: Rd. Adamson et al., CHEMISTRY WITHOUT COULOMB TAILS, Chemical physics letters, 254(5-6), 1996, pp. 329-336
LINEAR SCALING DENSITY-FUNCTIONAL CALCULATIONS VIA THE CONTINUOUS FAST MULTIPOLE METHOD
Authors: WHITE CA JOHNSON BG GILL PMW HEADGORDON M
Citation: Ca. White et al., LINEAR SCALING DENSITY-FUNCTIONAL CALCULATIONS VIA THE CONTINUOUS FAST MULTIPOLE METHOD, Chemical physics letters, 253(3-4), 1996, pp. 268-278
A GENERALIZED FAST MULTIPOLE APPROACH FOR HARTREE-FOCK AND DENSITY-FUNCTIONAL COMPUTATIONS - COMMENT
Authors: WHITE CA JOHNSON BG GILL PMW HEADGORDON M
Citation: Ca. White et al., A GENERALIZED FAST MULTIPOLE APPROACH FOR HARTREE-FOCK AND DENSITY-FUNCTIONAL COMPUTATIONS - COMMENT, Chemical physics letters, 248(5-6), 1996, pp. 482-483
BECKE-WIGNER - A SIMPLE BUT POWERFUL DENSITY-FUNCTIONAL
Authors: STEWART PA GILL PMW
Citation: Pa. Stewart et Pmw. Gill, BECKE-WIGNER - A SIMPLE BUT POWERFUL DENSITY-FUNCTIONAL, Journal of the Chemical Society. Faraday transactions, 91(24), 1995, pp. 4337-4341
SPIN-UNRESTRICTED CHARACTER OF KOHN-SHAM ORBITALS FOR OPEN-SHELL SYSTEMS
Authors: POPLE JA GILL PMW HANDY NC
Citation: Ja. Pople et al., SPIN-UNRESTRICTED CHARACTER OF KOHN-SHAM ORBITALS FOR OPEN-SHELL SYSTEMS, International journal of quantum chemistry, 56(4), 1995, pp. 303-305
THE CONTINUOUS FAST MULTIPOLE METHOD
Authors: WHITE CA JOHNSON BG GILL PMW HEADGORDON M
Citation: Ca. White et al., THE CONTINUOUS FAST MULTIPOLE METHOD, Chemical physics letters, 230(1-2), 1994, pp. 8-16
A DENSITY-FUNCTIONAL STUDY OF THE SIMPLEST HYDROGEN ABSTRACTION REACTION - EFFECT OF SELF-INTERACTION CORRECTION
Authors: JOHNSON BG GONZALES CA GILL PMW POPLE JA
Citation: Bg. Johnson et al., A DENSITY-FUNCTIONAL STUDY OF THE SIMPLEST HYDROGEN ABSTRACTION REACTION - EFFECT OF SELF-INTERACTION CORRECTION, Chemical physics letters, 221(1-2), 1994, pp. 100-108
A ROTATIONALLY INVARIANT PROCEDURE FOR DENSITY-FUNCTIONAL CALCULATIONS
Authors: JOHNSON BG GILL PMW POPLE JA
Citation: Bg. Johnson et al., A ROTATIONALLY INVARIANT PROCEDURE FOR DENSITY-FUNCTIONAL CALCULATIONS, Chemical physics letters, 220(6), 1994, pp. 377-384
ISOMERS OF C-24 - DENSITY-FUNCTIONAL STUDIES INCLUDING GRADIENT CORRECTIONS
Authors: RAGHAVACHARI K ZHANG BL POPLE JA JOHNSON BG GILL PMW
Citation: K. Raghavachari et al., ISOMERS OF C-24 - DENSITY-FUNCTIONAL STUDIES INCLUDING GRADIENT CORRECTIONS, Chemical physics letters, 220(6), 1994, pp. 385-390
COMPUTING MOLECULAR ELECTROSTATIC POTENTIALS WITH THE PRISM ALGORITHM- REPLY
Authors: JOHNSON BG POPLE JA GILL PMW FOX DJ
Citation: Bg. Johnson et al., COMPUTING MOLECULAR ELECTROSTATIC POTENTIALS WITH THE PRISM ALGORITHM- REPLY, Chemical physics letters, 218(5-6), 1994, pp. 595-596
A SIMPLE YET POWERFUL UPPER BOUND FOR COULOMB INTEGRALS
Authors: GILL PMW JOHNSON BG POPLE JA
Citation: Pmw. Gill et al., A SIMPLE YET POWERFUL UPPER BOUND FOR COULOMB INTEGRALS, Chemical physics letters, 217(1-2), 1994, pp. 65-68
ISOMERS OF C-20 - DRAMATIC EFFECT OF GRADIENT CORRECTIONS IN DENSITY-FUNCTIONAL THEORY
Authors: RAGHAVACHARI K STROUT DL ODOM GK SCUSERIA GE POPLE JA JOHNSON BG GILL PMW
Citation: K. Raghavachari et al., ISOMERS OF C-20 - DRAMATIC EFFECT OF GRADIENT CORRECTIONS IN DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 214(3-4), 1993, pp. 357-361
Risultati: 1-25 | 26-29