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Results: 1-25/50
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
Authors:
LI X
PALDUS J
Citation: X. Li et J. Paldus, UNITARY-GROUP BASED OPEN-SHELL COUPLED-CLUSTER METHOD WITH CORRECTIONS FOR CONNECTED TRIEXCITED CLUSTERS - II - APPLICATIONS, Molecular physics, 94(1), 1998, pp. 41-54
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
Authors:
PERIS G
RAJADELL F
LI X
PLANELLES J
PALDUS J
Citation: G. Peris et al., EXTERNALLY CORRECTED SINGLES AND DOUBLES COUPLED-CLUSTER METHODS FOR OPEN-SHELL SYSTEMS - II - APPLICATIONS TO THE LOW-LYING DOUBLET STATESOF OH, NH2, CH3 AND CN RADICALS, Molecular physics, 94(1), 1998, pp. 235-248
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, REDUCED MULTIREFERENCE COUPLE CLUSTER METHOD - II - APPLICATION TO POTENTIAL-ENERGY SURFACES OF HF, F-2, AND H2O, The Journal of chemical physics, 108(2), 1998, pp. 637-648
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, UNITARY-GROUP-BASED OPEN-SHELL COUPLED-CLUSTER METHOD WITH CORRECTIONS FOR CONNECTED TRIEXCITED CLUSTERS - I - THEORY, International journal of quantum chemistry, 70(1), 1998, pp. 65-75
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, SINGLET-TRIPLET SPLITTING IN METHYLENE - AN ACCURATE DESCRIPTION OF DYNAMIC AND NONDYNAMIC CORRELATION BY REDUCED MULTIREFERENCE COUPLED-CLUSTER METHOD, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1381-1393
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, DISSOCIATION OF N-2 TRIPLE BOND - A REDUCED MULTIREFERENCE CCSD STUDY, Chemical physics letters, 286(1-2), 1998, pp. 145-154
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
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, REDUCED MULTIREFERENCE CCSD METHOD - AN EFFECTIVE APPROACH TO QUASI-DEGENERATE STATES, The Journal of chemical physics, 107(16), 1997, pp. 6257-6269
Authors:
LI XZ
PERIS G
PLANELLES J
RAJADALL F
PALDUS J
Citation: Xz. Li et al., EXTERNALLY CORRECTED SINGLES AND DOUBLES COUPLED-CLUSTER METHODS FOR OPEN-SHELL SYSTEMS, The Journal of chemical physics, 107(1), 1997, pp. 90-98
Authors:
GUO H
PALDUS J
Citation: H. Guo et J. Paldus, ESTIMATES OF THE STRUCTURE AND DIMERIZATION ENERGY OF POLYACETYLENE FROM AB-INITIO CALCULATIONS ON FINITE POLYENES, International journal of quantum chemistry, 63(2), 1997, pp. 345-360
Authors:
PERIS G
PLANELLES J
PALDUS J
Citation: G. Peris et al., SINGLE-REFERENCE CCSD APPROACH EMPLOYING 3-BODY AND 4-BODY CAS SCF CORRECTIONS - A PRELIMINARY-STUDY OF A SIMPLE-MODEL, International journal of quantum chemistry, 62(2), 1997, pp. 137-151
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
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, VALENCE-BOND DESCRIPTION OF SPIN PROPERTIES OF PI-CONJUGATED SYSTEMS, Chemical physics, 204(2-3), 1996, pp. 447-461
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
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, A UNITARY-GROUP BASED OPEN-SHELL COUPLED-CLUSTER STUDY OF VIBRATIONALFREQUENCIES IN-GROUND AND EXCITED-STATES OF FIRST-ROW DIATOMICS, The Journal of chemical physics, 104(23), 1996, pp. 9555-9562
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
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
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
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, BOND-LENGTH ALTERNATION IN CYCLIC POLYENES .7. VALENCE-BOND THEORY APPROACH, International journal of quantum chemistry, 60(1), 1996, pp. 513-527
Authors:
PALDUS J
LI XZ
Citation: J. Paldus et Xz. Li, CALCULATION OF STATIC MOLECULAR-PROPERTIES IN THE FRAMEWORK OF THE UNITARY-GROUP BASED COUPLED-CLUSTER APPROACH, Canadian journal of chemistry, 74(6), 1996, pp. 918-930
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
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, COMPARISON OF THE OPEN-SHELL STATE-UNIVERSAL AND STATE-SELECTIVE COUPLED-CLUSTER THEORIES - H4 AND H8 MODELS, The Journal of chemical physics, 103(3), 1995, pp. 1024-1034
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, UNITARY-GROUP BASED OPEN-SHELL COUPLED-CLUSTER APPROACH AND TRIPLET AND OPEN-SHELL SINGLET STABILITIES OF HARTREE-FOCK REFERENCES, The Journal of chemical physics, 103(15), 1995, pp. 6536-6547