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Results: 1-25 | 26-31
Results: 1-25/31
DIPOLE-MOMENT AND POLARIZABILITY FUNCTIONS OF AMMONIA - A LINEAR-RESPONSE COUPLED-CLUSTER STUDY
Authors: PIECUCH P SPIRKO V PALDUS J
Citation: P. Piecuch et al., DIPOLE-MOMENT AND POLARIZABILITY FUNCTIONS OF AMMONIA - A LINEAR-RESPONSE COUPLED-CLUSTER STUDY, Polish Journal of Chemistry, 72(7), 1998, pp. 1635-1656
VIBRATIONAL DEPENDENCE OF THE DIPOLE-MOMENT AND RADIATIVE TRANSITION-PROBABILITIES IN THE X-1-SIGMA(- A LINEAR-RESPONSE COUPLED-CLUSTER STUDY() STATE OF HF )
Authors: PIECUCH P SPIRKO V KONDO AE PALDUS J
Citation: P. Piecuch et al., VIBRATIONAL DEPENDENCE OF THE DIPOLE-MOMENT AND RADIATIVE TRANSITION-PROBABILITIES IN THE X-1-SIGMA(- A LINEAR-RESPONSE COUPLED-CLUSTER STUDY() STATE OF HF ), Molecular physics, 94(1), 1998, pp. 55-64
THE STATE-SELECTIVE COUPLED-CLUSTER METHOD FOR QUASI-DEGENERATE ELECTRONIC STATES
Authors: ADAMOWICZ L PIECUCH P GHOSE KB
Citation: L. Adamowicz et al., THE STATE-SELECTIVE COUPLED-CLUSTER METHOD FOR QUASI-DEGENERATE ELECTRONIC STATES, Molecular physics, 94(1), 1998, pp. 225-234
POTENTIAL-ENERGY SURFACES OF NAFH
Authors: TOPALER MS TRUHLAR DG CHANG XY PIECUCH P POLANYI JC
Citation: Ms. Topaler et al., POTENTIAL-ENERGY SURFACES OF NAFH, The Journal of chemical physics, 108(13), 1998, pp. 5349-5377
THE PHOTOABSORPTION SPECTRUM OF NA-CENTER-DOT-CENTER-DOT-CENTER-DOT-FH VAN-DER-WAALS MOLECULE - COMPARISON OF THEORY AND EXPERIMENT FOR A HARPOONING REACTION STUDIED BY TRANSITION-STATE SPECTROSCOPY
Authors: TOPALER MS TRUHLAR DG CHANG XY PIECUCH P POLANYI JC
Citation: Ms. Topaler et al., THE PHOTOABSORPTION SPECTRUM OF NA-CENTER-DOT-CENTER-DOT-CENTER-DOT-FH VAN-DER-WAALS MOLECULE - COMPARISON OF THEORY AND EXPERIMENT FOR A HARPOONING REACTION STUDIED BY TRANSITION-STATE SPECTROSCOPY, The Journal of chemical physics, 108(13), 1998, pp. 5378-5390
DYNAMICS OF HARPOONING STUDIED BY TRANSITION-STATE SPECTROSCOPY NA-CENTER-DOT-CENTER-DOT-CENTER-DOT-FH
Authors: CHANG XY EHLICH R HUDSON AJ PIECUCH P POLANYI JC
Citation: Xy. Chang et al., DYNAMICS OF HARPOONING STUDIED BY TRANSITION-STATE SPECTROSCOPY NA-CENTER-DOT-CENTER-DOT-CENTER-DOT-FH, Faraday discussions, (108), 1997, pp. 411-425
THE CONVERGENCE OF ENERGY EXPANSIONS FOR MOLECULES IN ELECTROSTATIC FIELDS - A LINEAR-RESPONSE COUPLED-CLUSTER STUDY
Authors: PIECUCH P PALDUS J
Citation: P. Piecuch et J. Paldus, THE CONVERGENCE OF ENERGY EXPANSIONS FOR MOLECULES IN ELECTROSTATIC FIELDS - A LINEAR-RESPONSE COUPLED-CLUSTER STUDY, Journal of mathematical chemistry, 21(1), 1997, pp. 51-70
POTENTIAL-ENERGY CURVES FOR THE HF- AND CH3F- ANIONS - A COUPLED-CLUSTER STUDY
Authors: PIECUCH P
Citation: P. Piecuch, POTENTIAL-ENERGY CURVES FOR THE HF- AND CH3F- ANIONS - A COUPLED-CLUSTER STUDY, Journal of molecular structure, 437, 1997, pp. 503-536
APPROXIMATE ACCOUNT OF CONNECTED QUADRUPLY EXCITED CLUSTERS IN SINGLE-REFERENCE COUPLED-CLUSTER THEORY VIA CLUSTER-ANALYSIS OF THE PROJECTED UNRESTRICTED HARTREE-FOCK WAVE-FUNCTION
Authors: PIECUCH P TOBOLA R PALDUS J
Citation: P. Piecuch et al., APPROXIMATE ACCOUNT OF CONNECTED QUADRUPLY EXCITED CLUSTERS IN SINGLE-REFERENCE COUPLED-CLUSTER THEORY VIA CLUSTER-ANALYSIS OF THE PROJECTED UNRESTRICTED HARTREE-FOCK WAVE-FUNCTION, Physical review. A, 54(2), 1996, pp. 1210-1241
MOLECULAR QUADRUPOLE-MOMENT FUNCTION OF AMMONIA
Authors: PIECUCH P SPIRKO V PALDUS J
Citation: P. Piecuch et al., MOLECULAR QUADRUPOLE-MOMENT FUNCTION OF AMMONIA, The Journal of chemical physics, 105(24), 1996, pp. 11068-11074
ORTHOGONALLY SPIN-ADAPTED SINGLE-REFERENCE COUPLED-CLUSTER FORMALISM - LINEAR-RESPONSE CALCULATION OF HIGHER-ORDER STATIC PROPERTIES
Authors: KONDO AE PIECUCH P PALDUS J
Citation: Ae. Kondo et al., ORTHOGONALLY SPIN-ADAPTED SINGLE-REFERENCE COUPLED-CLUSTER FORMALISM - LINEAR-RESPONSE CALCULATION OF HIGHER-ORDER STATIC PROPERTIES, The Journal of chemical physics, 104(21), 1996, pp. 8566-8585
STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY - IN PURSUIT OFPROPERTY CALCULATION
Authors: GHOSE KB PIECUCH P PAL S ADAMOWICZ L
Citation: Kb. Ghose et al., STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY - IN PURSUIT OFPROPERTY CALCULATION, The Journal of chemical physics, 104(17), 1996, pp. 6582-6589
MOLECULAR QUADRUPOLE-MOMENT FUNCTIONS OF HF AND N-2 .1. AB-INITIO LINEAR-RESPONSE COUPLED-CLUSTER RESULTS
Authors: PIECUCH P KONDO AE SPIRKO V PALDUS J
Citation: P. Piecuch et al., MOLECULAR QUADRUPOLE-MOMENT FUNCTIONS OF HF AND N-2 .1. AB-INITIO LINEAR-RESPONSE COUPLED-CLUSTER RESULTS, The Journal of chemical physics, 104(12), 1996, pp. 4699-4715
MOLECULAR QUADRUPOLE-MOMENT FUNCTIONS OF HF AND N-2 .2. ROVIBRATIONALEFFECTS
Authors: SPIRKO V PIECUCH P KONDO AE PALDUS J
Citation: V. Spirko et al., MOLECULAR QUADRUPOLE-MOMENT FUNCTIONS OF HF AND N-2 .2. ROVIBRATIONALEFFECTS, The Journal of chemical physics, 104(12), 1996, pp. 4716-4727
PROPERTY EVALUATION USING THE 2-REFERENCE STATE-UNIVERSAL COUPLED-CLUSTER METHOD
Authors: PIECUCH P PALDUS J
Citation: P. Piecuch et J. Paldus, PROPERTY EVALUATION USING THE 2-REFERENCE STATE-UNIVERSAL COUPLED-CLUSTER METHOD, Journal of physical chemistry, 99(42), 1995, pp. 15354-15368
IMPROVED COMPUTATIONAL STRATEGY FOR THE STATE-SELECTIVE COUPLED-CLUSTER THEORY WITH SEMIINTERNAL TRIEXCITED CLUSTERS - POTENTIAL-ENERGY SURFACE OF THE HF MOLECULE
Authors: GHOSE KB PIECUCH P ADAMOWICZ L
Citation: Kb. Ghose et al., IMPROVED COMPUTATIONAL STRATEGY FOR THE STATE-SELECTIVE COUPLED-CLUSTER THEORY WITH SEMIINTERNAL TRIEXCITED CLUSTERS - POTENTIAL-ENERGY SURFACE OF THE HF MOLECULE, The Journal of chemical physics, 103(21), 1995, pp. 9331-9346
STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM - APPLICATION TO AN EXCITED-STATE OF H-8
Authors: ALEXANDROV V PIECUCH P ADAMOWICZ L
Citation: V. Alexandrov et al., STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM - APPLICATION TO AN EXCITED-STATE OF H-8, The Journal of chemical physics, 102(8), 1995, pp. 3301-3306
BREAKING BONDS WITH THE STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER METHOD EMPLOYING THE SINGLE-REFERENCE FORMALISM
Authors: PIECUCH P ADAMOWICZ L
Citation: P. Piecuch et L. Adamowicz, BREAKING BONDS WITH THE STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER METHOD EMPLOYING THE SINGLE-REFERENCE FORMALISM, The Journal of chemical physics, 102(2), 1995, pp. 898-904
ORTHOGONALLY SPIN-ADAPTED SINGLE-REFERENCE COUPLED-CLUSTER FORMALISM - LINEAR-RESPONSE CALCULATION OF STATIC PROPERTIES
Authors: KONDO AE PIECUCH P PALDUS J
Citation: Ae. Kondo et al., ORTHOGONALLY SPIN-ADAPTED SINGLE-REFERENCE COUPLED-CLUSTER FORMALISM - LINEAR-RESPONSE CALCULATION OF STATIC PROPERTIES, The Journal of chemical physics, 102(16), 1995, pp. 6511-6524
COUPLED-CLUSTER APPROACHES WITH AN APPROXIMATE ACCOUNT OF TRIPLY AND QUADRUPLY EXCITED CLUSTERS - IMPLEMENTATION OF THE ORTHOGONALLY SPIN-ADAPTED CCD PLUS ST(CCD), CCSD PLUS T(CCSD), AND ACPQ PLUS ST(ACPQ) FORMALISMS
Authors: PIECUCH P TOBOLA R PALDUS J
Citation: P. Piecuch et al., COUPLED-CLUSTER APPROACHES WITH AN APPROXIMATE ACCOUNT OF TRIPLY AND QUADRUPLY EXCITED CLUSTERS - IMPLEMENTATION OF THE ORTHOGONALLY SPIN-ADAPTED CCD PLUS ST(CCD), CCSD PLUS T(CCSD), AND ACPQ PLUS ST(ACPQ) FORMALISMS, International journal of quantum chemistry, 55(2), 1995, pp. 133-146
APPLICATION OF HILBERT-SPACE COUPLED-CLUSTER THEORY TO SIMPLE (H-2)(2) MODEL SYSTEMS .2. NONPLANAR MODELS
Authors: PIECUCH P PALDUS J
Citation: P. Piecuch et J. Paldus, APPLICATION OF HILBERT-SPACE COUPLED-CLUSTER THEORY TO SIMPLE (H-2)(2) MODEL SYSTEMS .2. NONPLANAR MODELS, Physical review. A, 49(5), 1994, pp. 3479-3514
ORTHOGONALLY SPIN-ADAPTED STATE-UNIVERSAL COUPLED-CLUSTER FORMALISM -IMPLEMENTATION OF THE COMPLETE 2-REFERENCE THEORY INCLUDING CUBIC ANDQUARTIC COUPLING TERMS
Authors: PIECUCH P PALDUS J
Citation: P. Piecuch et J. Paldus, ORTHOGONALLY SPIN-ADAPTED STATE-UNIVERSAL COUPLED-CLUSTER FORMALISM -IMPLEMENTATION OF THE COMPLETE 2-REFERENCE THEORY INCLUDING CUBIC ANDQUARTIC COUPLING TERMS, The Journal of chemical physics, 101(7), 1994, pp. 5875-5890
STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM - IMPLEMENTATION AND APPLICATION TO THE H8 MODEL SYSTEM
Authors: PIECUCH P ADAMOWICZ L
Citation: P. Piecuch et L. Adamowicz, STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM - IMPLEMENTATION AND APPLICATION TO THE H8 MODEL SYSTEM, The Journal of chemical physics, 100(8), 1994, pp. 5792-5809
SOLVING THE SINGLE-REFERENCE COUPLED-CLUSTER EQUATIONS INVOLVING HIGHLY EXCITED CLUSTERS IN QUASI-DEGENERATE SITUATIONS
Authors: PIECUCH P ADAMOWICZ L
Citation: P. Piecuch et L. Adamowicz, SOLVING THE SINGLE-REFERENCE COUPLED-CLUSTER EQUATIONS INVOLVING HIGHLY EXCITED CLUSTERS IN QUASI-DEGENERATE SITUATIONS, The Journal of chemical physics, 100(8), 1994, pp. 5857-5869
AN AB-INITIO DETERMINATION OF (1)A(1)-B-3(1) ENERGY-GAP IN CH2 USING ORTHOGONALLY SPIN-ADAPTED STATE-UNIVERSAL AND STATE-SPECIFIC COUPLED-CLUSTER METHODS
Authors: PIECUCH P LI XZ PALDUS J
Citation: P. Piecuch et al., AN AB-INITIO DETERMINATION OF (1)A(1)-B-3(1) ENERGY-GAP IN CH2 USING ORTHOGONALLY SPIN-ADAPTED STATE-UNIVERSAL AND STATE-SPECIFIC COUPLED-CLUSTER METHODS, Chemical physics letters, 230(4-5), 1994, pp. 377-386
Risultati: 1-25 | 26-31