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Results: 1-9 |
Results: 9
FITTING BASIS-SETS FOR THE RI-MP2 APPROXIMATE 2ND-ORDER MANY-BODY PERTURBATION-THEORY METHOD
Authors: BERNHOLDT DE HARRISON RJ
Citation: De. Bernholdt et Rj. Harrison, FITTING BASIS-SETS FOR THE RI-MP2 APPROXIMATE 2ND-ORDER MANY-BODY PERTURBATION-THEORY METHOD, The Journal of chemical physics, 109(5), 1998, pp. 1593-1600
INTERNET RESOURCE DISCOVERY FOR CHEMISTRY - WHERE ARE THOSE VAST UNTAPPED RESOURCES
Authors: BERNHOLDT DE FOX GC
Citation: De. Bernholdt et Gc. Fox, INTERNET RESOURCE DISCOVERY FOR CHEMISTRY - WHERE ARE THOSE VAST UNTAPPED RESOURCES, TrAC. Trends in analytical chemistry, 16(5), 1997, pp. 230-233
TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .2. A SCALABLE SELF-CONSISTENT-FIELD PROGRAM
Authors: HARRISON RJ GUEST MF KENDALL RA BERNHOLDT DE WONG AT STAVE M ANCHELL JL HESS AC LITTLEFIELD RJ FANN GL NIEPLOCHA J THOMAS GS ELWOOD D TILSON JL SHEPARD RL WAGNER AF FOSTER IT LUSK E STEVENS R
Citation: Rj. Harrison et al., TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .2. A SCALABLE SELF-CONSISTENT-FIELD PROGRAM, Journal of computational chemistry, 17(1), 1996, pp. 124-132
HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM
Authors: GUEST MF APRA E BERNHOLDT DE FRUCHTL HA HARRISON RJ KENDALL RA KUTTEH RA LONG X NICHOLAS JB NICHOLS JA TAYLOR HL WONG AT FANN GI LITTLEFIELD RJ NIEPLOCHA J
Citation: Mf. Guest et al., HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM, Future generations computer systems, 12(4), 1996, pp. 273-289
THE STRUCTURE AND BINDING-ENERGY OF K-ETHER COMPLEXES - A COMPARISON OF MP2, RI-MP2, AND DENSITY-FUNCTIONAL METHODS()
Authors: FELLER D APRA E NICHOLS JA BERNHOLDT DE
Citation: D. Feller et al., THE STRUCTURE AND BINDING-ENERGY OF K-ETHER COMPLEXES - A COMPARISON OF MP2, RI-MP2, AND DENSITY-FUNCTIONAL METHODS(), The Journal of chemical physics, 105(5), 1996, pp. 1940-1950
LARGE-SCALE CORRELATED ELECTRONIC-STRUCTURE CALCULATIONS - THE RI-MP2METHOD ON PARALLEL COMPUTERS
Authors: BERNHOLDT DE HARRISON RJ
Citation: De. Bernholdt et Rj. Harrison, LARGE-SCALE CORRELATED ELECTRONIC-STRUCTURE CALCULATIONS - THE RI-MP2METHOD ON PARALLEL COMPUTERS, Chemical physics letters, 250(5-6), 1996, pp. 477-484
ORBITAL-INVARIANT 2ND-ORDER MANY-BODY PERTURBATION-THEORY ON PARALLELCOMPUTERS - AN APPROACH FOR LARGE MOLECULES
Authors: BERNHOLDT DE HARRISON RJ
Citation: De. Bernholdt et Rj. Harrison, ORBITAL-INVARIANT 2ND-ORDER MANY-BODY PERTURBATION-THEORY ON PARALLELCOMPUTERS - AN APPROACH FOR LARGE MOLECULES, The Journal of chemical physics, 102(24), 1995, pp. 9582-9589
PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM
Authors: BERNHOLDT DE APRA E FRUCHTL HA GUEST MF HARRISON RJ KENDALL RA KUTTEH RA LONG X NICHOLAS JB NICHOLS JA TAYLOR HL WONG AT
Citation: De. Bernholdt et al., PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM, International journal of quantum chemistry, 1995, pp. 475-483
LOCALIZED HARTREE PRODUCT ORBITALS IN CORRELATED STUDIES OF MOLECULES
Authors: PERERA SA BERNHOLDT DE BARTLETT RJ
Citation: Sa. Perera et al., LOCALIZED HARTREE PRODUCT ORBITALS IN CORRELATED STUDIES OF MOLECULES, International journal of quantum chemistry, 49(5), 1994, pp. 559-573
Risultati: 1-9 |