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Results: 1-25/28
Authors:
SUNDHOLM D
SUNDBERG MR
UGGLA R
Citation: D. Sundholm et al., INTERMOLECULAR INTERACTIONS IN P-CHLOROBENZOIC ACID DIMERS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(36), 1998, pp. 7137-7142
Authors:
TOKMAN M
SUNDHOLM D
PYYKKO P
Citation: M. Tokman et al., NUCLEAR-QUADRUPOLE MOMENTS OF GALLIUM ISOTOPES OBTAINED FROM FINITE-ELEMENT MCHF CALCULATIONS ON THE 4P P-2(3 2) STATE OF GA/, Chemical physics letters, 291(3-4), 1998, pp. 414-418
Authors:
OLSEN J
SUNDHOLM D
Citation: J. Olsen et D. Sundholm, ON PERTURBATION EXPANSIONS OF THE EXTENDED KOOPMANS THEOREM, Chemical physics letters, 288(2-4), 1998, pp. 282-288
REPULSIVE INTERATOMIC POTENTIALS CALCULATED USING HARTREE-FOCK AND DENSITY-FUNCTIONAL THEORY METHODS
Authors:
NORDLUND K
RUNEBERG N
SUNDHOLM D
Citation: K. Nordlund et al., REPULSIVE INTERATOMIC POTENTIALS CALCULATED USING HARTREE-FOCK AND DENSITY-FUNCTIONAL THEORY METHODS, Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 132(1), 1997, pp. 45-54
Authors:
SUNDHOLM D
GAUSS J
Citation: D. Sundholm et J. Gauss, ISOTOPE AND TEMPERATURE EFFECTS ON NUCLEAR MAGNETIC SHIELDINGS AND SPIN-ROTATION CONSTANTS CALCULATED AT THE COUPLED-CLUSTER LEVEL, Molecular physics, 92(6), 1997, pp. 1007-1014
Authors:
GAUSS J
SUNDHOLM D
Citation: J. Gauss et D. Sundholm, COUPLED-CLUSTER CALCULATIONS OF SPIN-ROTATION CONSTANTS, Molecular physics, 91(3), 1997, pp. 449-458
Authors:
LOHR LL
SUNDHOLM D
Citation: Ll. Lohr et D. Sundholm, AN AB-INITIO CHARACTERIZATION OF DIPHOSPHORUS TRISULFIDE, P2S3, Journal of molecular structure, 413, 1997, pp. 495-500
Authors:
SUNDHOLM D
OTTSCHOFSKI E
Citation: D. Sundholm et E. Ottschofski, RELATIVISTIC MULTICONFIGURATION HARTREE-FOCK BY MEANS OF DIRECT PERTURBATION-THEORY, International journal of quantum chemistry, 65(2), 1997, pp. 151-158
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:
TOKMAN M
SUNDHOLM D
PYYKKO P
OLSEN J
Citation: M. Tokman et al., THE NUCLEAR-QUADRUPOLE MOMENT OF N-14 OBTAINED FROM FINITE-ELEMENT MCHF CALCULATIONS ON N2-2(3( (2P, P)2)) AND N+(2P(2), P-3(2) AND 2P(2), D-1(2))/, Chemical physics letters, 265(1-2), 1997, pp. 60-64
Authors:
SUNDHOLM D
GAUSS J
SCHAFER A
Citation: D. Sundholm et al., ROVIBRATIONALLY AVERAGED NUCLEAR MAGNETIC SHIELDING TENSORS CALCULATED AT THE COUPLED-CLUSTER LEVEL, The Journal of chemical physics, 105(24), 1996, pp. 11051-11059
Authors:
KOBUS J
LAAKSONEN L
SUNDHOLM D
Citation: J. Kobus et al., A NUMERICAL HARTREE-FOCK PROGRAM FOR DIATOMIC-MOLECULES, Computer physics communications, 98(3), 1996, pp. 346-358
Authors:
SUNDHOLM D
Citation: D. Sundholm, CORE-VALENCE CORRELATION-EFFECTS ON THE GROUND-STATE ELECTRON-AFFINITIES OF STRONTIUM AND BARIUM, Journal of physics. B, Atomic molecular and optical physics, 28(12), 1995, pp. 399-404
Authors:
SUNDHOLM D
Citation: D. Sundholm, NUMERICAL MULTICONFIGURATIONAL HARTREE-FOCK CALCULATIONS OF SPIN AND CHARGE-DENSITIES USING THE HILLER-SUCHER-FEINBERG OPERATOR IDENTITY, The Journal of chemical physics, 102(12), 1995, pp. 4895-4903
Authors:
SUNDHOLM D
OLSEN J
JORGENSEN P
Citation: D. Sundholm et al., A MULTICONFIGURATION SELF-CONSISTENT-FIELD RESPONSE STUDY OF ONE-PHOTON AND 2-PHOTON DIPOLE TRANSITIONS BETWEEN THE X(1)SIGMA(-(1)PI STATESOF CO() AND A), The Journal of chemical physics, 102(10), 1995, pp. 4143-4150
Authors:
SUNDHOLM D
GAUSS J
AHLRICHS R
Citation: D. Sundholm et al., THE ELECTRON CORRELATION CONTRIBUTION TO THE NUCLEAR MAGNETIC SHIELDING TENSOR OF THE HYDROGEN MOLECULE, Chemical physics letters, 243(3-4), 1995, pp. 264-268
Authors:
SUNDHOLM D
OLSEN J
Citation: D. Sundholm et J. Olsen, FINITE-ELEMENT MULTICONFIGURATION HARTREE-FOCK CALCULATIONS OF ELECTRON-AFFINITIES OF MANGANESE, Chemical physics letters, 233(1-2), 1995, pp. 115-122
Authors:
SUNDHOLM D
Citation: D. Sundholm, AB-INITIO STUDY OF NUCLEAR MAGNETIC SHIELDINGS AND ULTRAVIOLET-SPECTRA FOR HYPOTHIOCYANITE AND ITS ISOMERS - THE MOLECULAR-STRUCTURE OF HYPOTHIOCYANITE, Journal of the American Chemical Society, 117(46), 1995, pp. 11523-11528
Authors:
SUNDHOLM D
OLSEN J
Citation: D. Sundholm et J. Olsen, FINITE-ELEMENT MULTICONFIGURATION HARTREE-FOCK CALCULATIONS OF THE ATOMIC QUADRUPOLE-MOMENTS OF C-2) AND NE+(P-2)((P), Physical review. A, 49(5), 1994, pp. 3453-3456
Authors:
OLSEN J
PETTERSSON LGM
SUNDHOLM D
Citation: J. Olsen et al., CALCULATIONS OF EXCITATION-ENERGIES AND ELECTRON-AFFINITIES FOR BE, Journal of physics. B, Atomic molecular and optical physics, 27(23), 1994, pp. 5575-5586
Authors:
SUNDHOLM D
RIZZO A
JORGENSEN P
Citation: D. Sundholm et al., MULTICONFIGURATION SELF-CONSISTENT-FIELD QUADRATIC RESPONSE CALCULATIONS OF THE 2-PHOTON TRANSITION-PROBABILITY RATE CONSTANTS FOR ARGON, The Journal of chemical physics, 101(6), 1994, pp. 4931-4935
Authors:
OLSEN J
SUNDHOLM D
Citation: J. Olsen et D. Sundholm, THE NUCLEAR-QUADRUPOLE MOMENT OF N-14 OBTAINED FROM FINITE-ELEMENT MCHF CALCULATIONS ON N-1( (2P3P) P), Chemical physics letters, 226(1-2), 1994, pp. 17-21
Authors:
SUNDHOLM D
Citation: D. Sundholm, FULLY NUMERICAL-SOLUTIONS OF MOLECULAR DIRAC EQUATIONS FOR HIGHLY-CHARGED ONE-ELECTRON HOMONUCLEAR DIATOMIC-MOLECULES, Chemical physics letters, 223(5-6), 1994, pp. 469-473
Authors:
SUNDHOLM D
OLSEN J
Citation: D. Sundholm et J. Olsen, CORE-VALENCE CORRELATION-EFFECTS ON THE GROUND-STATE ELECTRON-AFFINITY OF CALCIUM, Chemical physics letters, 217(4), 1994, pp. 451-455
Authors:
SUNDHOLM D
OLSEN J
GODEFROID M
VANMEULEBEKE G
Citation: D. Sundholm et al., CORE-VALENCE CORRELATION ON THE LOW-LYING (1,3)F(O) TERMS OF CA-I, Physical review. A, 48(5), 1993, pp. 3606-3610