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Results: 1-25/37
Authors:
HATTIG C
CHRISTIANSEN O
CORIANI S
JORGENSEN P
Citation: C. Hattig et al., STATIC AND FREQUENCY-DEPENDENT POLARIZABILITIES OF EXCITED SINGLET-STATES USING COUPLED-CLUSTER RESPONSE THEORY, The Journal of chemical physics, 109(21), 1998, pp. 9237-9243
Authors:
CHRISTIANSEN O
HATTIG C
GAUSS J
Citation: O. Christiansen et al., POLARIZABILITIES OF CO, N-2, HF, NE, BH, AND CH-INITIO CALCULATIONS -SYSTEMATIC STUDIES OF ELECTRON CORRELATION, BASIS-SET ERRORS, AND VIBRATIONAL CONTRIBUTIONS( FROM AB), The Journal of chemical physics, 109(12), 1998, pp. 4745-4757
Authors:
KOCH H
FERNANDEZ B
CHRISTIANSEN O
Citation: H. Koch et al., THE BENZENE-ARGON COMPLEX - A GROUND AND EXCITED-STATE AB-INITIO STUDY, The Journal of chemical physics, 108(7), 1998, pp. 2784-2790
Authors:
CHRISTIANSEN O
HALKIER A
KOCH H
JORGENSEN P
HELGAKER T
Citation: O. Christiansen et al., INTEGRAL-DIRECT COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT POLARIZABILITIES, TRANSITION-PROBABILITIES AND EXCITED-STATE PROPERTIES, The Journal of chemical physics, 108(7), 1998, pp. 2801-2816
Authors:
HATTIG C
CHRISTIANSEN O
JORGENSEN P
Citation: C. Hattig et al., MULTIPHOTON TRANSITION MOMENTS AND ABSORPTION CROSS-SECTIONS IN COUPLED-CLUSTER RESPONSE THEORY EMPLOYING VARIATIONAL TRANSITION-MOMENT FUNCTIONALS, The Journal of chemical physics, 108(20), 1998, pp. 8331-8354
Authors:
HATTIG C
CHRISTIANSEN O
JORGENSEN P
Citation: C. Hattig et al., COUPLED-CLUSTER RESPONSE CALCULATIONS OF 2-PHOTON TRANSITION-PROBABILITY RATE CONSTANTS FOR HELIUM, NEON AND ARGON, The Journal of chemical physics, 108(20), 1998, pp. 8355-8359
Authors:
CHRISTIANSEN O
STANTON JF
GAUSS J
Citation: O. Christiansen et al., A COUPLED-CLUSTER STUDY OF THE 1(1)A(1G) AND 1B-1(2U) STATES OF BENZENE, The Journal of chemical physics, 108(10), 1998, pp. 3987-4001
Authors:
CHRISTIANSEN O
JORGENSEN P
HATTIG C
Citation: O. Christiansen et al., RESPONSE FUNCTIONS FROM FOURIER COMPONENT VARIATIONAL PERTURBATION-THEORY APPLIED TO A TIME-AVERAGED QUASI-ENERGY, International journal of quantum chemistry, 68(1), 1998, pp. 1-52
Authors:
GAUSS J
CHRISTIANSEN O
STANTON JF
Citation: J. Gauss et al., TRIPLE EXCITATION EFFECTS IN COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES, Chemical physics letters, 296(1-2), 1998, pp. 117-124
Authors:
CHRISTIANSEN O
GAUSS J
STANTON JF
Citation: O. Christiansen et al., THE EFFECT OF TRIPLE EXCITATIONS IN COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT POLARIZABILITIES, Chemical physics letters, 292(4-6), 1998, pp. 437-446
Authors:
CHRISTIANSEN O
BAK KL
KOCH H
SAUER SPA
Citation: O. Christiansen et al., A 2ND-ORDER DOUBLES CORRECTION TO EXCITATION-ENERGIES IN THE RANDOM-PHASE-APPROXIMATION, Chemical physics letters, 284(1-2), 1998, pp. 47-55
Authors:
HATTIG C
CHRISTIANSEN O
JORGENSEN P
Citation: C. Hattig et al., FREQUENCY-DEPENDENT 2ND HYPERPOLARIZABILITIES USING COUPLED-CLUSTER CUBIC RESPONSE THEORY, Chemical physics letters, 282(2), 1998, pp. 139-146
Authors:
CHRISTIANSEN O
JORGENSEN P
Citation: O. Christiansen et P. Jorgensen, THE ELECTRONIC-SPECTRUM OF FURAN, Journal of the American Chemical Society, 120(14), 1998, pp. 3423-3430
Authors:
HALKIER A
KOCH H
JORGENSEN P
CHRISTIANSEN O
NIELSEN IMB
HELGAKER T
Citation: A. Halkier et al., A SYSTEMATIC AB-INITIO STUDY OF THE WATER DIMER IN HIERARCHIES OF BASIS-SETS AND CORRELATION MODELS, Theoretical chemistry accounts, 97(1-4), 1997, pp. 150-157
FIRST-ORDER ONE-ELECTRON PROPERTIES IN THE INTEGRAL-DIRECT COUPLED-CLUSTER SINGLES AND DOUBLES MODEL
Authors:
HALKIER A
KOCH H
CHRISTIANSEN O
JORGENSEN P
HELGAKER T
Citation: A. Halkier et al., FIRST-ORDER ONE-ELECTRON PROPERTIES IN THE INTEGRAL-DIRECT COUPLED-CLUSTER SINGLES AND DOUBLES MODEL, The Journal of chemical physics, 107(3), 1997, pp. 849-866
Authors:
HATTIG C
CHRISTIANSEN O
JORGENSEN P
Citation: C. Hattig et al., CAUCHY MOMENTS AND DISPERSION COEFFICIENTS USING COUPLED-CLUSTER LINEAR-RESPONSE THEORY, The Journal of chemical physics, 107(24), 1997, pp. 10592-10598
Authors:
KOCH H
CHRISTIANSEN O
JORGENSEN P
DEMERAS AMS
HELGAKER T
Citation: H. Koch et al., THE CC3 MODEL - AN ITERATIVE COUPLED-CLUSTER APPROACH INCLUDING CONNECTED TRIPLES, The Journal of chemical physics, 106(5), 1997, pp. 1808-1818
Authors:
FERNANDEZ B
CHRISTIANSEN O
JORGENSEN P
BYBERG J
GAUSS J
RUUD K
Citation: B. Fernandez et al., HYPERFINE AND NUCLEAR-QUADRUPOLE COUPLING IN CHLORINE AND FLUORINE DIOXIDES, The Journal of chemical physics, 106(5), 1997, pp. 1847-1855
Authors:
CHRISTIANSEN O
HALKIER A
JORGENSEN P
Citation: O. Christiansen et al., COUPLED-CLUSTER CALCULATIONS OF THE POLARIZABILITY OF FURAN, Chemical physics letters, 281(4-6), 1997, pp. 438-444
Authors:
HALKIER A
CHRISTIANSEN O
SUNDHOLM D
PYYKKO P
Citation: A. Halkier et al., AN IMPROVED VALUE OF THE NUCLEAR-QUADRUPOLE MOMENT OF THE 197 KEV I=52 EXCITED-STATE OF F-19/, Chemical physics letters, 271(4-6), 1997, pp. 273-279
Authors:
HATTIG C
CHRISTIANSEN O
KOCH H
JORGENSEN P
Citation: C. Hattig et al., FREQUENCY-DEPENDENT FIRST HYPERPOLARIZABILITIES USING COUPLED-CLUSTERQUADRATIC RESPONSE THEORY, Chemical physics letters, 269(5-6), 1997, pp. 428-434
Authors:
CHRISTIANSEN O
GAUSS J
STANTON JF
Citation: O. Christiansen et al., NUCLEAR MAGNETIC SHIELDING CONSTANTS IN THE CC2 MODEL, Chemical physics letters, 266(1-2), 1997, pp. 53-60
PERTURBATIVE TRIPLE EXCITATION CORRECTIONS TO COUPLED-CLUSTER SINGLESAND DOUBLES EXCITATION-ENERGIES
Authors:
CHRISTIANSEN O
KOCH H
JORGENSEN F
Citation: O. Christiansen et al., PERTURBATIVE TRIPLE EXCITATION CORRECTIONS TO COUPLED-CLUSTER SINGLESAND DOUBLES EXCITATION-ENERGIES, The Journal of chemical physics, 105(4), 1996, pp. 1451-1459
Authors:
CHRISTIANSEN O
KOCH H
HALKIER A
JORGENSEN P
HELGAKER T
DEMERAS AS
Citation: O. Christiansen et al., LARGE-SCALE CALCULATIONS OF EXCITATION-ENERGIES IN COUPLED-CLUSTER THEORY - THE SINGLET EXCITED-STATES OF BENZENE, The Journal of chemical physics, 105(16), 1996, pp. 6921-6939
Authors:
OLSEN J
CHRISTIANSEN O
KOCH H
JORGENSEN P
Citation: J. Olsen et al., SURPRISING CASES OF DIVERGENT BEHAVIOR IN MOLLER-PLESSET PERTURBATION-THEORY, The Journal of chemical physics, 105(12), 1996, pp. 5082-5090