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Results: 1-20 |
Results: 20
SEARCH FOR SINGLET-TRIPLET BISTABILITIES IN CONJUGATED HYDROCARBONS
Authors: GUIHERY N MAYNAU D MALRIEU JP
Citation: N. Guihery et al., SEARCH FOR SINGLET-TRIPLET BISTABILITIES IN CONJUGATED HYDROCARBONS, New journal of chemistry, 22(3), 1998, pp. 281-286
A STATISTICAL MULTIREFERENCE STATE-SPECIFIC DRESSING OF CONFIGURATION-INTERACTION MATRICES - APPLICATION TO HEISENBERG HAMILTONIANS
Authors: GUTHERY N MALRIEU JP MAYNAU D WIND P
Citation: N. Guthery et al., A STATISTICAL MULTIREFERENCE STATE-SPECIFIC DRESSING OF CONFIGURATION-INTERACTION MATRICES - APPLICATION TO HEISENBERG HAMILTONIANS, Molecular physics, 94(1), 1998, pp. 209-216
SIZE-CONSISTENT SELF-CONSISTENT CONFIGURATION-INTERACTION FROM A COMPLETE ACTIVE SPACE - EXCITED-STATES
Authors: BENAMOR N MAYNAU D SANCHEZMARIN J NEBOTGIL I EVANGELISTI S
Citation: N. Benamor et al., SIZE-CONSISTENT SELF-CONSISTENT CONFIGURATION-INTERACTION FROM A COMPLETE ACTIVE SPACE - EXCITED-STATES, The Journal of chemical physics, 109(19), 1998, pp. 8275-8282
BENCHMARK FULL-CI CALCULATION ON C2H2 - COMPARISON WITH (SC)(2)-CI AND OTHER TRUNCATED-CI APPROACHES
Authors: BENAMOR N EVANGELISTI S MAYNAU D ROSSI E
Citation: N. Benamor et al., BENCHMARK FULL-CI CALCULATION ON C2H2 - COMPARISON WITH (SC)(2)-CI AND OTHER TRUNCATED-CI APPROACHES, Chemical physics letters, 288(2-4), 1998, pp. 348-355
SIZE-CONSISTENT SELF-CONSISTENT CONFIGURATION-INTERACTION FROM A COMPLETE ACTIVE SPACE
Authors: BENAMOR N MAYNAU D
Citation: N. Benamor et D. Maynau, SIZE-CONSISTENT SELF-CONSISTENT CONFIGURATION-INTERACTION FROM A COMPLETE ACTIVE SPACE, Chemical physics letters, 286(3-4), 1998, pp. 211-220
SIZE-CONSISTENT SINGLE-REFERENCE METHODS FOR ELECTRONIC CORRELATION -A UNIFIED FORMULATION THROUGH INTERMEDIATE HAMILTONIAN THEORY
Authors: SANCHEZMARIN J NEBOTGIL I MALRIEU JP HEULLY JL MAYNAU D
Citation: J. Sanchezmarin et al., SIZE-CONSISTENT SINGLE-REFERENCE METHODS FOR ELECTRONIC CORRELATION -A UNIFIED FORMULATION THROUGH INTERMEDIATE HAMILTONIAN THEORY, Theoretica Chimica Acta, 95(5-6), 1997, pp. 215-241
UNEXPECTED CASSCF BISTABILITY PHENOMENON
Authors: GUIHERY N MALRIEU JP MAYNAU D HANDRICK K
Citation: N. Guihery et al., UNEXPECTED CASSCF BISTABILITY PHENOMENON, International journal of quantum chemistry, 61(1), 1997, pp. 45-54
AB-INITIO STUDY OF THE AMMONIA ION-AMMONIA REACTION PATHS
Authors: BENAMOR N MAYNAU D SPIEGELMANN F
Citation: N. Benamor et al., AB-INITIO STUDY OF THE AMMONIA ION-AMMONIA REACTION PATHS, The Journal of chemical physics, 104(11), 1996, pp. 4049-4054
APPROXIMATE SIZE-CONSISTENT TREATMENTS OF HEISENBERG HAMILTONIAN FOR LARGE SYSTEMS
Authors: GUIHERY N BENAMOR N MAYNAU D MALRIEU JP
Citation: N. Guihery et al., APPROXIMATE SIZE-CONSISTENT TREATMENTS OF HEISENBERG HAMILTONIAN FOR LARGE SYSTEMS, The Journal of chemical physics, 104(10), 1996, pp. 3701-3708
FROM QUINOIDAL TO DIRADICAL STRUCTURE IN SUBSTITUTED N-PARA-XYLYLENE (N=1,2,3) MOLECULES - A HEISENBERG HAMILTONIAN STUDY
Authors: GUIHERY N MAYNAU D MALRIEU JP
Citation: N. Guihery et al., FROM QUINOIDAL TO DIRADICAL STRUCTURE IN SUBSTITUTED N-PARA-XYLYLENE (N=1,2,3) MOLECULES - A HEISENBERG HAMILTONIAN STUDY, Chemical physics letters, 248(3-4), 1996, pp. 199-206
TOTALLY DRESSED SDCI CALCULATIONS - AN APPLICATION TO HF AND F2
Authors: SANCHEZMARIN J NEBOTGIL I MAYNAU D MALRIEU JP
Citation: J. Sanchezmarin et al., TOTALLY DRESSED SDCI CALCULATIONS - AN APPLICATION TO HF AND F2, Theoretica Chimica Acta, 92(4), 1995, pp. 241-252
COMBINING MOLECULAR MECHANICS WITH QUANTUM TREATMENTS FOR LARGE CONJUGATED HYDROCARBONS .2. A GEOMETRY-DEPENDENT HEISENBERG HAMILTONIAN
Authors: TREBOUX G MAYNAU D MALRIEU JP
Citation: G. Treboux et al., COMBINING MOLECULAR MECHANICS WITH QUANTUM TREATMENTS FOR LARGE CONJUGATED HYDROCARBONS .2. A GEOMETRY-DEPENDENT HEISENBERG HAMILTONIAN, Journal of physical chemistry, 99(17), 1995, pp. 6417-6423
SELF-CONSISTENT INTERMEDIATE HAMILTONIANS - A COUPLED-CLUSTER TYPE FORMULATION OF THE SINGLES AND DOUBLES CONFIGURATION-INTERACTION MATRIX DRESSING
Authors: NEBOTGIL I SANCHEZMARIN J MALRIEU JP HEULLY JL MAYNAU D
Citation: I. Nebotgil et al., SELF-CONSISTENT INTERMEDIATE HAMILTONIANS - A COUPLED-CLUSTER TYPE FORMULATION OF THE SINGLES AND DOUBLES CONFIGURATION-INTERACTION MATRIX DRESSING, The Journal of chemical physics, 103(7), 1995, pp. 2576-2588
EIGENVALUE PROBLEM FORMULATION OF COUPLED-CLUSTER EXPANSIONS THROUGH INTERMEDIATE HAMILTONIANS
Authors: NEBOTGIL I SANCHEZMARIN J HEULLY JL MALRIEU JP MAYNAU D
Citation: I. Nebotgil et al., EIGENVALUE PROBLEM FORMULATION OF COUPLED-CLUSTER EXPANSIONS THROUGH INTERMEDIATE HAMILTONIANS, Chemical physics letters, 234(1-3), 1995, pp. 45-49
AB-INITIO STUDY OF NANFN AND NANFN-1 CLUSTERS - ATYPICAL STRUCTURES
Authors: GIRAUDGIRARD J MAYNAU D
Citation: J. Giraudgirard et D. Maynau, AB-INITIO STUDY OF NANFN AND NANFN-1 CLUSTERS - ATYPICAL STRUCTURES, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 32(3), 1994, pp. 249-255
MONTE-CARLO AB-INITIO SIMULATION OF THE ABSORPTION-SPECTRUM OF NA4
Authors: POTEAU R MAYNAU D SPIEGELMANN F
Citation: R. Poteau et al., MONTE-CARLO AB-INITIO SIMULATION OF THE ABSORPTION-SPECTRUM OF NA4, Chemical physics, 175(2-3), 1993, pp. 289-297
STATIC, STATISTICAL, AND DYNAMICAL PROPERTIES OF SMALL SODIUM CLUSTERS
Authors: POTEAU R MAYNAU D DAUDEY JP SPIEGELMANN F
Citation: R. Poteau et al., STATIC, STATISTICAL, AND DYNAMICAL PROPERTIES OF SMALL SODIUM CLUSTERS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 26(1-4), 1993, pp. 232-235
ADDING THE LINKED CONTRIBUTIONS OF TRIPLES AND QUADRUPLES TO A SIZE-CONSISTENT SINGLES AND DOUBLES CL
Authors: SANCHEZMARIN J MAYNAU D MALRIEU JP
Citation: J. Sanchezmarin et al., ADDING THE LINKED CONTRIBUTIONS OF TRIPLES AND QUADRUPLES TO A SIZE-CONSISTENT SINGLES AND DOUBLES CL, Theoretica Chimica Acta, 87(1-2), 1993, pp. 107-127
A STATISTICAL TREATMENT OF LARGE CONFIGURATION-INTERACTION EIGENVECTORS - TESTS ON MODEL HAMILTONIANS AND ON CLASSICAL MO-CI CALCULATIONS
Authors: MAYNAU D
Citation: D. Maynau, A STATISTICAL TREATMENT OF LARGE CONFIGURATION-INTERACTION EIGENVECTORS - TESTS ON MODEL HAMILTONIANS AND ON CLASSICAL MO-CI CALCULATIONS, Theoretica Chimica Acta, 85(4), 1993, pp. 271-284
2ND-ORDER PERTURBATION ON A SDCI CALCULATION
Authors: MAYNAU D HEULLY JL
Citation: D. Maynau et Jl. Heully, 2ND-ORDER PERTURBATION ON A SDCI CALCULATION, Chemical physics letters, 211(6), 1993, pp. 625-630
Risultati: 1-20 |