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Results: 1-25/53
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
Authors:
CALZADO CJ
MALRIEU JP
SANZ JF
Citation: Cj. Calzado et al., PHYSICAL FACTORS GOVERNING THE AMPLITUDE OF THE ELECTRON-TRANSFER INTEGRAL IN MIXED-VALENCE COMPOUNDS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(21), 1998, pp. 3659-3667
Authors:
MALRIEU JP
Citation: Jp. Malrieu, QUANTUM-CHEMISTRY AND ITS UNACHIEVED MISSIONS, Journal of molecular structure. Theochem, 424(1-2), 1998, pp. 83-91
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
Authors:
GARCIA VM
CABALLOL R
MALRIEU JP
Citation: Vm. Garcia et al., TREATMENT OF CORE-VALENCE CORRELATION-EFFECTS THROUGH DIFFERENCE-DEDICATED CONFIGURATION-INTERACTION - APPLICATION TO THE LOWEST ELECTRONICSTATES OF K, RB, KH, RBH, AND K-2, The Journal of chemical physics, 109(2), 1998, pp. 504-511
Authors:
REINHARDT P
MALRIEU JP
Citation: P. Reinhardt et Jp. Malrieu, ON THE PERTURBATIVE ESTIMATES OF THE CORRELATION-ENERGY FROM LOCALIZED ORBITALS IN PERIODIC-SYSTEMS, The Journal of chemical physics, 109(17), 1998, pp. 7632-7643
Authors:
REINHARDT P
MALRIEU JP
POVILL A
RUBIO J
Citation: P. Reinhardt et al., LOCALIZED ORBITALS IN NONMETALLIC RING-SYSTEMS, International journal of quantum chemistry, 70(1), 1998, pp. 167-180
Authors:
MIGUEL B
COUSY M
MALRIEU JP
Citation: B. Miguel et al., COUPLED-CLUSTER TREATMENTS OF PERIODIC-SYSTEMS FROM STRONGLY LOCALIZED REFERENCE FUNCTIONS - 1-D AND 2-D SPIN AND ELECTRON LATTICES, International journal of quantum chemistry, 67(2), 1998, pp. 115-132
Authors:
PEREZCASANY MP
NEBOTGIL I
SANCHEZMARIN J
MARCOS OC
MALRIEU JP
Citation: Mp. Perezcasany et al., VERTICAL SPECTRUM OF ETHENE, UNCONTRACTED VERSUS CONTRACTED CORRELATION METHODS AND THE ROLE OF THE ADAPTED MOLECULAR-ORBITALS, Chemical physics letters, 295(3), 1998, pp. 181-188
Authors:
MIGUEL B
GUIHERY N
MALRIEU JP
WIND P
Citation: B. Miguel et al., STUDY OF INFINITE POLYACETYLENE FROM A HEISENBERG HAMILTONIAN - DIMERIZATION AND LOWEST EXCITATION-ENERGIES, Chemical physics letters, 294(1-3), 1998, pp. 49-55
Authors:
MIGUEL B
WIND P
GUIHERY N
MALRIEU JP
Citation: B. Miguel et al., APPROACHING PERIODIC-SYSTEMS BY A SELF-CONSISTENT EMBEDDING OF A FINITE CLUSTER, Chemical physics letters, 283(1-2), 1998, pp. 77-85
Authors:
ZAITSEVSKII A
MALRIEU JP
Citation: A. Zaitsevskii et Jp. Malrieu, SPIN-ADAPTED MULTIPARTITIONING PERTURBATION-THEORY, Theoretical chemistry accounts, 96(4), 1997, pp. 269-276
Authors:
CABALLOL R
CASTELL O
ILLAS F
MOREIRA PR
MALRIEU JP
Citation: R. Caballol et al., REMARKS ON THE PROPER USE OF THE BROKEN SYMMETRY APPROACH TO MAGNETICCOUPLING, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(42), 1997, pp. 7860-7866
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
Authors:
RUBIO J
POVILL A
MALRIEU JP
REINHARDT P
Citation: J. Rubio et al., DIRECT DETERMINATION OF LOCALIZED HARTREE-FOCK ORBITALS AS A STEP TOWARD N SCALING PROCEDURES, The Journal of chemical physics, 107(23), 1997, pp. 10044-10050
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
Authors:
GARCIA VM
REGUERO M
CABALLOL R
MALRIEU JP
Citation: Vm. Garcia et al., ON THE QUASIDIABATIC CHARACTER OF AVERAGE NATURAL ORBITALS, Chemical physics letters, 281(1-3), 1997, pp. 161-167
Authors:
REGUERO M
CABALLOL R
HEULLY JL
MALRIEU JP
Citation: M. Reguero et al., CALCULATION OF SMALL TRANSITION ENERGIES FROM A DRESSED CONFIGURATION-INTERACTION, Chemical physics letters, 265(6), 1997, pp. 621-628
Authors:
MIGUEL B
MALRIEU JP
Citation: B. Miguel et Jp. Malrieu, COMBINING COUPLED-CLUSTER AND PERTURBATIVE EXPANSIONS THROUGH INTERMEDIATE HAMILTONIANS - THEORY AND APPLICATION TO 1D AND 2D SPIN LATTICES, Physical review. B, Condensed matter, 54(3), 1996, pp. 1652-1661
Authors:
ADAMOWICZ L
MALRIEU JP
Citation: L. Adamowicz et Jp. Malrieu, MULTIREFERENCE SELF-CONSISTENT SIZE-EXTENSIVE STATE-SELECTIVE CONFIGURATION-INTERACTION, The Journal of chemical physics, 105(20), 1996, pp. 9240-9247
Authors:
HEULLY JL
MALRIEU JP
ZAITSEVSKII A
Citation: Jl. Heully et al., ON THE ORIGIN OF SIZE INCONSISTENCY OF THE 2ND-ORDER STATE-SPECIFIC EFFECTIVE HAMILTONIAN METHOD, The Journal of chemical physics, 105(16), 1996, pp. 6887-6891
Authors:
MELLER J
MALRIEU JP
CABALLOL R
Citation: J. Meller et al., STATE-SPECIFIC COUPLED CLUSTER-TYPE DRESSING OF MULTIREFERENCE SINGLES AND DOUBLES CONFIGURATION-INTERACTION MATRIX, The Journal of chemical physics, 104(11), 1996, pp. 4068-4076
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
Authors:
GARCIA VM
CABALLOL R
MALRIEU JP
Citation: Vm. Garcia et al., THEORETICAL-STUDY OF THE ETHYLENE ELECTRONIC-SPECTRUM AND EXTRACTION OF AN R-DEPENDENT HUBBARD HAMILTONIAN, Chemical physics letters, 261(1-2), 1996, pp. 98-104
Authors:
ADAMOWICZ L
CABALLOL R
MALRIEU JP
MELLER J
Citation: L. Adamowicz et al., A GENERAL BRIDGE BETWEEN CONFIGURATION-INTERACTION AND COUPLED-CLUSTER METHODS - A MULTISTATE SOLUTION, Chemical physics letters, 259(5-6), 1996, pp. 619-626