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Results: 1-9 |
Results: 9
SELF-CONSISTENT-FIELD CALCULATIONS USING 2-BODY DENSITY FUNCTIONALS FOR CORRELATION-ENERGY COMPONENT - I - ATOMIC SYSTEMS
Authors: MOSCARDO F PEREZJIMENEZ AJ
Citation: F. Moscardo et Aj. Perezjimenez, SELF-CONSISTENT-FIELD CALCULATIONS USING 2-BODY DENSITY FUNCTIONALS FOR CORRELATION-ENERGY COMPONENT - I - ATOMIC SYSTEMS, Journal of computational chemistry, 19(16), 1998, pp. 1887-1898
SELF-CONSISTENT-FIELD CALCULATIONS USING 2-BODY DENSITY FUNCTIONALS FOR CORRELATION-ENERGY COMPONENT - II - SMALL MOLECULES
Authors: MOSCARDO F PEREZJIMENEZ AJ CJUNO JA
Citation: F. Moscardo et al., SELF-CONSISTENT-FIELD CALCULATIONS USING 2-BODY DENSITY FUNCTIONALS FOR CORRELATION-ENERGY COMPONENT - II - SMALL MOLECULES, Journal of computational chemistry, 19(16), 1998, pp. 1899-1908
COMPARISON BETWEEN AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS IN THE REACTION )+H-2((1)SIGMA(+)(G))-]OH+((3)SIGMA(-))+H(S-2)((S)
Authors: MOSCARDO F PEREZJIMENEZ AJ
Citation: F. Moscardo et Aj. Perezjimenez, COMPARISON BETWEEN AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS IN THE REACTION )+H-2((1)SIGMA(+)(G))-]OH+((3)SIGMA(-))+H(S-2)((S), Journal of molecular structure. Theochem, 426, 1998, pp. 47-51
CORRELATION POTENTIALS FOR THE HE ATOM AND THE HYDROGEN MOLECULE - A COMPARISON BETWEEN THE CORRELATION FACTOR APPROACH AND DFT CORRELATION-ENERGY FUNCTIONALS
Authors: MOSCARDO F PEREZJIMENEZ AJ
Citation: F. Moscardo et Aj. Perezjimenez, CORRELATION POTENTIALS FOR THE HE ATOM AND THE HYDROGEN MOLECULE - A COMPARISON BETWEEN THE CORRELATION FACTOR APPROACH AND DFT CORRELATION-ENERGY FUNCTIONALS, International journal of quantum chemistry, 67(3), 1998, pp. 143-156
EXCHANGE AND CORRELATION KOHN-SHAM FUNCTIONALS FOR THE HELIUM ATOM - LOCALITY AND HOMOGENEITY
Authors: MOSCARDO F SANCHOGARCIA JC
Citation: F. Moscardo et Jc. Sanchogarcia, EXCHANGE AND CORRELATION KOHN-SHAM FUNCTIONALS FOR THE HELIUM ATOM - LOCALITY AND HOMOGENEITY, Chemical physics letters, 294(4-5), 1998, pp. 314-318
ON THE APPLICATION OF THE KOHN-SHAM THEORY TO THE CALCULATION OF POTENTIAL-ENERGY CURVES
Authors: MOSCARDO F PEREZJIMENEZ AJ SANCHOGARCIA JC SANFABIAN E
Citation: F. Moscardo et al., ON THE APPLICATION OF THE KOHN-SHAM THEORY TO THE CALCULATION OF POTENTIAL-ENERGY CURVES, Chemical physics letters, 288(2-4), 1998, pp. 418-422
NEW FUNCTIONALS FOR CORRELATION-ENERGY DEDUCED IN THE FRAMEWORK OF THE CORRELATION FACTOR APPROACH
Authors: MOSCARDO F PEREZJIMENEZ AJ
Citation: F. Moscardo et Aj. Perezjimenez, NEW FUNCTIONALS FOR CORRELATION-ENERGY DEDUCED IN THE FRAMEWORK OF THE CORRELATION FACTOR APPROACH, International journal of quantum chemistry, 61(2), 1997, pp. 313-323
PERFORMANCE OF CORRELATION FUNCTIONALS IN AB-INITIO CHEMISORPTION CLUSTER-MODEL CALCULATIONS - ALKALI-METALS ON SI(111)
Authors: CLOTET A RICART JM RUBIO J ILLAS F SANFABIAN E MOSCARDO F
Citation: A. Clotet et al., PERFORMANCE OF CORRELATION FUNCTIONALS IN AB-INITIO CHEMISORPTION CLUSTER-MODEL CALCULATIONS - ALKALI-METALS ON SI(111), Physical review. B, Condensed matter, 52(16), 1995, pp. 11998-12005
APPLICABILITY TO ATOMS OF A LARGE SET OF CORRELATION-ENERGY FUNCTIONALS
Authors: FABIAN ES MOSCARDO F PEREZJORDA JM
Citation: Es. Fabian et al., APPLICABILITY TO ATOMS OF A LARGE SET OF CORRELATION-ENERGY FUNCTIONALS, International journal of quantum chemistry, 52(4), 1994, pp. 1027-1038
Risultati: 1-9 |