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Results: 26-50/53
Authors:
HEULLY JL
MALRIEU JP
NEBOTGIL I
SANCHEZMARIN J
Citation: Jl. Heully et al., APPLICABILITY OF SIZE-CONSISTENT SELF-CONSISTENT CONFIGURATION-INTERACTION TO EXCITED-STATES, Chemical physics letters, 256(6), 1996, pp. 589-594
Authors:
CAPPONI S
GUIHERY N
MALRIEU JP
MIGUEL B
POILBLANC D
Citation: S. Capponi et al., BOND ALTERNATION OF POLYACETYLENE AS A SPIN-PEIERLS DISTORTION, Chemical physics letters, 255(4-6), 1996, pp. 238-243
Authors:
ZAITSEVSKII A
MALRIEU JP
Citation: A. Zaitsevskii et Jp. Malrieu, MULTI-PARTITIONING MOLLER-PLESSET PERTURBATION-THEORY - A STATE-SELECTIVE FORMULATION, Chemical physics letters, 250(3-4), 1996, pp. 366-372
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
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
Authors:
GOURSOT A
MALRIEU JP
SALAHUB DR
Citation: A. Goursot et al., BONDING IN C-2 AND BE-2 - BROKEN SYMMETRY AND CORRELATION IN DFT SOLUTIONS, Theoretica Chimica Acta, 91(3-4), 1995, pp. 225-236
Authors:
MALRIEU JP
HEULLY JL
ZAITSEVSKII A
Citation: Jp. Malrieu et al., MULTICONFIGURATIONAL 2ND-ORDER PERTURBATIVE METHODS - OVERVIEW AND COMPARISON OF BASIC PROPERTIES, Theoretica Chimica Acta, 90(2-3), 1995, pp. 167-187
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
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
Authors:
ZAITSEVSKII A
MALRIEU JP
Citation: A. Zaitsevskii et Jp. Malrieu, 2ND-ORDER INTERMEDIATE HAMILTONIAN METHOD - PILOT APPLICATIONS TO VERTICAL EXCITATIONS IN PI-ELECTRON SYSTEMS, International journal of quantum chemistry, 55(2), 1995, pp. 117-125
Authors:
MALRIEU JP
MIGUEL B
PELEGATTI A
Citation: Jp. Malrieu et al., MODIFIED COUPLED-CLUSTER AMPLITUDES, International journal of quantum chemistry, 1995, pp. 245-252
Authors:
MELLER J
MALRIEU JP
HEULLY JL
Citation: J. Meller et al., MULTIREFERENCE SELF-CONSISTENT SIZE-CONSISTENT CONFIGURATION-INTERACTION METHOD - A FEW APPLICATIONS TO GROUND AND EXCITED-STATES, Chemical physics letters, 244(5-6), 1995, pp. 440-447
Authors:
GARCIA VM
CASTELL O
CABALLOL R
MALRIEU JP
Citation: Vm. Garcia et al., AN ITERATIVE DIFFERENCE-DEDICATED CONFIGURATION-INTERACTION - PROPOSAL AND TEST STUDIES, Chemical physics letters, 238(4-6), 1995, pp. 222-229
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
Authors:
ZAITSEVSKII A
MALRIEU JP
Citation: A. Zaitsevskii et Jp. Malrieu, MULTI-PARTITIONING QUASI-DEGENERATE PERTURBATION-THEORY - A NEW APPROACH TO MULTIREFERENCE MOLLER-PLESSET PERTURBATION-THEORY, Chemical physics letters, 233(5-6), 1995, pp. 597-604
Authors:
GUIHERY N
DURAND G
LEPETIT MB
MALRIEU JP
Citation: N. Guihery et al., BISTABILITY IN MOLECULAR DONOR-ACCEPTOR COMPLEXES, Chemical physics, 183(1), 1994, pp. 61-72
Authors:
MALRIEU JP
Citation: Jp. Malrieu, COLORED SEMANTIC NETWORKS FOR CONTENT-ANALYSIS, Quality & quantity, 28(1), 1994, pp. 55-81
Authors:
HANDRICK K
MALRIEU JP
CASTELL O
Citation: K. Handrick et al., GENERAL STRATEGY FOR THE AB-INITIO CALCULATION OF EXCHANGE COUPLING IN POLYNUCLEAR COMPLEXES, The Journal of chemical physics, 101(3), 1994, pp. 2205-2212
Authors:
MALRIEU JP
DAUDEY JP
CABALLOL R
Citation: Jp. Malrieu et al., MULTIREFERENCE SELF-CONSISTENT SIZE-CONSISTENT SINGLES AND DOUBLES CONFIGURATION-INTERACTION FOR GROUND AND EXCITED-STATES, The Journal of chemical physics, 101(10), 1994, pp. 8908-8921
Authors:
MALRIEU JP
NEBOTGIL I
SANCHEZMARIN J
Citation: Jp. Malrieu et al., ELEMENTARY PRESENTATION OF SELF-CONSISTENT INTERMEDIATE HAMILTONIANS AND PROPOSAL OF 2 TOTALLY DRESSED SINGLES AND DOUBLES CONFIGURATION-INTERACTION METHODS, The Journal of chemical physics, 100(2), 1994, pp. 1440-1449
Authors:
ZAITSEVSKII A
MALRIEU JP
Citation: A. Zaitsevskii et Jp. Malrieu, THE DISCONTINUITIES OF STATE-AVERAGE MCSCF POTENTIAL SURFACES, Chemical physics letters, 228(4-5), 1994, pp. 458-462
Authors:
MELLER J
HEULLY JL
MALRIEU JP
Citation: J. Meller et al., SIZE-CONSISTENT SELF-CONSISTENT COMBINATION OF SELECTED CI AND PERTURBATION-THEORY, Chemical physics letters, 218(3), 1994, pp. 276-282
Authors:
POVILL A
RUBIO J
CABALLOL R
MALRIEU JP
Citation: A. Povill et al., THE FULL-CI ENERGY OF THE NH3 MOLECULE IN A DZP BASIS-SET, Chemical physics letters, 218(3), 1994, pp. 283-286
Authors:
MIRALLES J
CASTELL O
CABALLOL R
MALRIEU JP
Citation: J. Miralles et al., SPECIFIC CI CALCULATION OF ENERGY DIFFERENCES - TRANSITION ENERGIES AND BOND-ENERGIES, Chemical physics, 172(1), 1993, pp. 33-43
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