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Results: 1-25/39
Authors:
KUTZELNIGG W
Citation: W. Kutzelnigg, ALMOST VARIATIONAL COUPLED-CLUSTER THEORY, Molecular physics, 94(1), 1998, pp. 65-71
Authors:
CENCEK W
RYCHLEWSKI J
JAQUET R
KUTZELNIGG W
Citation: W. Cencek et al., SUB-MICROHARTREE ACCURACY POTENTIAL-ENERGY SURFACE FOR H-3(- I - CALCULATION OF THE POTENTIAL POINTS() INCLUDING ADIABATIC AND RELATIVISTICEFFECTS ), The Journal of chemical physics, 108(7), 1998, pp. 2831-2836
Authors:
JAQUET R
CENCEK W
KUTZELNIGG W
RYCHLEWSKI J
Citation: R. Jaquet et al., SUB-MICROHARTREE ACCURACY POTENTIAL-ENERGY SURFACE FOR H-3(- II - ROVIBRATIONAL ANALYSIS FOR H-3(+) AND D-3(+)() INCLUDING ADIABATIC AND RELATIVISTIC EFFECTS ), The Journal of chemical physics, 108(7), 1998, pp. 2837-2846
Authors:
KUTZELNIGG W
Citation: W. Kutzelnigg, RELATIVISTIC ONE-ELECTRON HAMILTONIANS FOR ELECTRONS ONLY AND THE VARIATIONAL TREATMENT OF THE DIRAC-EQUATION, Chemical physics, 225(1-3), 1997, pp. 203-222
Authors:
MULLER H
KUTZELNIGG W
NOGA J
Citation: H. Muller et al., A CCSD(T)-R12 STUDY OF THE 10-ELECTRON SYSTEMS NE, F-, HF, H2O, NH3, NH4+ AND CH4, Molecular physics, 92(3), 1997, pp. 535-546
Authors:
KUTZELNIGG W
Citation: W. Kutzelnigg, THE ADIABATIC APPROXIMATION .1. THE PHYSICAL BACKGROUND OF THE BORN-HANDY ANSATZ, Molecular physics, 90(6), 1997, pp. 909-916
Authors:
KUTZELNIGG W
MUKHERJEE D
Citation: W. Kutzelnigg et D. Mukherjee, NORMAL ORDER AND EXTENDED WICK THEOREM FOR A MULTICONFIGURATION REFERENCE WAVE-FUNCTION, The Journal of chemical physics, 107(2), 1997, pp. 432-449
Authors:
MULLER H
KUTZELNIGG W
NOGA J
KLOPPER W
Citation: H. Muller et al., CH5- THE STORY GOES ON - AN EXPLICITLY CORRELATED COUPLED-CLUSTER STUDY( ), The Journal of chemical physics, 106(5), 1997, pp. 1863-1869
Authors:
OTTSCHOFSKI E
KUTZELNIGG W
Citation: E. Ottschofski et W. Kutzelnigg, DIRECT PERTURBATION-THEORY OF RELATIVISTIC EFFECTS FOR EXPLICITLY CORRELATED WAVE-FUNCTIONS - THE HE ISOELECTRONIC SERIES, The Journal of chemical physics, 106(16), 1997, pp. 6634-6646
Authors:
CENCEK W
KUTZELNIGG W
Citation: W. Cencek et W. Kutzelnigg, ACCURATE ADIABATIC CORRECTION FOR THE HYDROGEN MOLECULE USING THE BORN-HANDY FORMULA, Chemical physics letters, 266(3-4), 1997, pp. 383-387
Authors:
KUTZELNIGG W
Citation: W. Kutzelnigg, STATIONARY DIRECT PERTURBATION-THEORY OF RELATIVISTIC CORRECTIONS, Physical review. A, 54(2), 1996, pp. 1183-1198
Authors:
KUTZELNIGG W
Citation: W. Kutzelnigg, HUND,FRIEDRICH AND CHEMISTRY, Angewandte Chemie, International Edition in English, 35(6), 1996, pp. 573-586
Authors:
KUTZELNIGG W
MORGAN JD
Citation: W. Kutzelnigg et Jd. Morgan, HUNDS RULES, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 36(3-4), 1996, pp. 197-214
Authors:
CENCEK W
KUTZELNIGG W
Citation: W. Cencek et W. Kutzelnigg, ACCURATE RELATIVISTIC ENERGIES OF ONE-ELECTRON AND 2-ELECTRON SYSTEMSUSING GAUSSIAN WAVE-FUNCTIONS, The Journal of chemical physics, 105(14), 1996, pp. 5878-5885
Authors:
VANWULLEN C
KUTZELNIGG W
Citation: C. Vanwullen et W. Kutzelnigg, CALCULATION OF NUCLEAR-MAGNETIC-RESONANCE SHIELDINGS AND MAGNETIC-SUSCEPTIBILITIES USING MULTICONFIGURATION HARTREE-FOCK WAVE-FUNCTIONS ANDLOCAL GAUGE ORIGINS, The Journal of chemical physics, 104(6), 1996, pp. 2330-2340
Authors:
KUTZELNIGG W
VOGTNER S
Citation: W. Kutzelnigg et S. Vogtner, EXTREMAL ELECTRON PAIRS, International journal of quantum chemistry, 60(1), 1996, pp. 235-248
Authors:
KAUPP M
VANWULLEN C
FRANKE R
SCHMITZ F
KUTZELNIGG W
Citation: M. Kaupp et al., THE STRUCTURE OF XEF6 AND OF COMPOUNDS ISOELECTRONIC WITH IT - A CHALLENGE TO COMPUTATIONAL CHEMISTRY AND TO THE QUALITATIVE THEORY OF THE CHEMICAL-BOND, Journal of the American Chemical Society, 118(47), 1996, pp. 11939-11950
Authors:
FLEISCHER U
FRICK F
GRIMMER AR
HOFFBAUER W
JANSEN M
KUTZELNIGG W
Citation: U. Fleischer et al., P-31 MAS-NMR OF PHOSPHORUS OXIDE SULFIDES - EXPERIMENTAL-DETERMINATION AND QUANTUMCHEMICAL CALCULATION OF CHEMICAL-SHIFT TENSORS, Zeitschrift fur anorganische und allgemeine Chemie, 621(12), 1995, pp. 2012-2020
Authors:
BUHL M
THIEL W
FLEISCHER U
KUTZELNIGG W
Citation: M. Buhl et al., AB-INITIO COMPUTATION OF SE-77 NMR CHEMICAL-SHIFTS WITH THE IGLO-SCF,THE GIAO-SCF, AND THE GIAO-MP2 METHODS, Journal of physical chemistry, 99(12), 1995, pp. 4000-4007
Authors:
NOGA J
TUNEGA D
KLOPPER W
KUTZELNIGG W
Citation: J. Noga et al., THE PERFORMANCE OF THE EXPLICITLY CORRELATED COUPLED-CLUSTER METHOD .1. THE 4-ELECTRON SYSTEMS BE, LI-, AND LIH, The Journal of chemical physics, 103(1), 1995, pp. 309-320
Authors:
KUTZELNIGG W
OTTSCHOFSKI E
FRANKE R
Citation: W. Kutzelnigg et al., RELATIVISTIC HARTREE-FOCK BY MEANS OF STATIONARY DIRECT PERTURBATION-THEORY .1. GENERAL-THEORY, The Journal of chemical physics, 102(4), 1995, pp. 1740-1751
Authors:
OTTSCHOFSKI E
KUTZELNIGG W
Citation: E. Ottschofski et W. Kutzelnigg, RELATIVISTIC HARTREE-FOCK BY MEANS OF STATIONARY DIRECT PERTURBATION-THEORY .2. GROUND-STATES OF RARE-GAS ATOMS, The Journal of chemical physics, 102(4), 1995, pp. 1752-1757
Authors:
QUACK M
KUTZELNIGG W
Citation: M. Quack et W. Kutzelnigg, MOLECULAR-SPECTROSCOPY AND MOLECULAR-DYNAMICS - THEORY AND EXPERIMENT, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 231-245
Authors:
FLEISCHER U
KRUGER K
GROSSMANN G
KUTZELNIGG W
Citation: U. Fleischer et al., NUCLEAR MAGNETIC SHIELDING TENSORS IN PHOSPHORUS-CONTAINING RING-SYSTEMS - A THEORETICAL-STUDY, Phosphorus, sulfur and silicon and the related elements, 93(1-4), 1994, pp. 217-220
Authors:
FLEISCHER U
VANWULLEN C
KUTZELNIGG W
Citation: U. Fleischer et al., IGLO CALCULATIONS OF NMR CHEMICAL-SHIFTS IN SOME SILICON AND PHOSPHORUS-CONTAINING POLYCYCLES, Phosphorus, sulfur and silicon and the related elements, 93(1-4), 1994, pp. 365-366