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Results:
1-20
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Results: 20
Authors:
DYALL KG
Citation: Kg. Dyall, RELATIVISTIC AND NONRELATIVISTIC FINITE NUCLEUS OPTIMIZED DOUBLE-ZETABASIS-SETS FOR THE 4P, 5P AND 6P ELEMENTS, Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print)), 99(6), 1998, pp. 366-371
Authors:
SOUTHWORTH SH
LEBRUN T
AZUMA Y
DYALL KG
Citation: Sh. Southworth et al., ARGON KM PHOTOELECTRON SATELLITES, Journal of electron spectroscopy and related phenomena, 94(1-2), 1998, pp. 33-38
Authors:
DYALL KG
Citation: Kg. Dyall, INTERFACING RELATIVISTIC AND NONRELATIVISTIC METHODS - II - INVESTIGATION OF A LOW-ORDER APPROXIMATION, The Journal of chemical physics, 109(11), 1998, pp. 4201-4208
Authors:
VISSCHER L
DYALL KG
Citation: L. Visscher et Kg. Dyall, DIRAC-FOCK ATOMIC ELECTRONIC-STRUCTURE CALCULATIONS USING DIFFERENT NUCLEAR-CHARGE DISTRIBUTIONS, Atomic data and nuclear data tables, 67(2), 1997, pp. 207-224
Authors:
DYALL KG
Citation: Kg. Dyall, INTERFACING RELATIVISTIC AND NONRELATIVISTIC METHODS .1. NORMALIZED ELIMINATION OF THE SMALL COMPONENT IN THE MODIFIED DIRAC-EQUATION, The Journal of chemical physics, 106(23), 1997, pp. 9618-9626
Authors:
FRUCHTL HA
KENDALL RA
HARRISON RJ
DYALL KG
Citation: Ha. Fruchtl et al., AN IMPLEMENTATION OF RI-SCF ON PARALLEL COMPUTERS, International journal of quantum chemistry, 64(1), 1997, pp. 63-69
Authors:
DYALL KG
FAEGRI K
Citation: Kg. Dyall et K. Faegri, OPTIMIZATION OF GAUSSIAN-BASIS SETS FOR DIRAC-HARTREE-FOCK CALCULATIONS, Theoretica Chimica Acta, 94(1), 1996, pp. 39-51
Authors:
VISSCHER L
LEE TJ
DYALL KG
Citation: L. Visscher et al., FORMULATION AND IMPLEMENTATION OF A RELATIVISTIC UNRESTRICTED COUPLED-CLUSTER METHOD INCLUDING NONITERATIVE CONNECTED TRIPLES, The Journal of chemical physics, 105(19), 1996, pp. 8769-8776
Authors:
VISSCHER L
DYALL KG
Citation: L. Visscher et Kg. Dyall, RELATIVISTIC AND CORRELATION-EFFECTS ON MOLECULAR-PROPERTIES .1. THE DIHALOGENS F2, CL-2, BR-2, I-2, AND AT-2, The Journal of chemical physics, 104(22), 1996, pp. 9040-9046
Authors:
HEINEMANN C
SCHWARZ H
KOCH W
DYALL KG
Citation: C. Heinemann et al., RELATIVISTIC EFFECTS IN THE CATIONIC PLATINUM CARBENE PTCH2+, The Journal of chemical physics, 104(12), 1996, pp. 4642-4651
RELATIVISTIC 4-COMPONENT MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD THEORY FOR MOLECULES - FORMALISM
Authors:
JENSEN HJA
DYALL KG
SAUE T
FAEGRI K
Citation: Hja. Jensen et al., RELATIVISTIC 4-COMPONENT MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD THEORY FOR MOLECULES - FORMALISM, The Journal of chemical physics, 104(11), 1996, pp. 4083-4097
Authors:
COLLINS CL
DYALL KG
SCHAEFER HF
Citation: Cl. Collins et al., RELATIVISTIC AND CORRELATION-EFFECTS IN CUH, AGH, AND AUH - COMPARISON OF VARIOUS RELATIVISTIC METHODS, The Journal of chemical physics, 102(5), 1995, pp. 2024-2031
Authors:
DYALL KG
Citation: Kg. Dyall, THE CHOICE OF A ZEROTH-ORDER HAMILTONIAN FOR 2ND-ORDER PERTURBATION-THEORY WITH A COMPLETE ACTIVE SPACE SELF-CONSISTENT-FIELD REFERENCE FUNCTION, The Journal of chemical physics, 102(12), 1995, pp. 4909-4918
Authors:
VISSCHER L
DYALL KG
LEE TJ
Citation: L. Visscher et al., KRAMERS-RESTRICTED CLOSED-SHELL CCSD THEORY, International journal of quantum chemistry, 1995, pp. 411-419
Authors:
VISSCHER L
DYALL KG
Citation: L. Visscher et Kg. Dyall, MP2 STUDIES OF RELATIVISTIC EFFECTS ON THE LINEAR STATIONARY-POINTS OF THE H-2-]HCL+CL AND CL+HCL-]CLH+CL REACTIONS(CL), Chemical physics letters, 239(1-3), 1995, pp. 181-185
AN EXACT SEPARATION OF THE SPIN-FREE AND SPIN-DEPENDENT TERMS OF THE DIRAC-COULOMB-BREIT HAMILTONIAN
Authors:
DYALL KG
Citation: Kg. Dyall, AN EXACT SEPARATION OF THE SPIN-FREE AND SPIN-DEPENDENT TERMS OF THE DIRAC-COULOMB-BREIT HAMILTONIAN, The Journal of chemical physics, 100(3), 1994, pp. 2118-2127
Authors:
LEE TJ
RENDELL AP
DYALL KG
JAYATILAKA D
Citation: Tj. Lee et al., OPEN-SHELL RESTRICTED HARTREE-FOCK PERTURBATION-THEORY - SOME CONSIDERATIONS AND COMPARISONS, The Journal of chemical physics, 100(10), 1994, pp. 7400-7409
Authors:
DYALL KG
Citation: Kg. Dyall, 2ND-ORDER MOLLER-PLESSET PERTURBATION-THEORY FOR MOLECULAR DIRAC-HARTREE-FOCK WAVE-FUNCTIONS - THEORY FOR UP TO 2 OPEN-SHELL ELECTRONS, Chemical physics letters, 224(1-2), 1994, pp. 186-194
Authors:
DYALL KG
Citation: Kg. Dyall, RELATIVISTIC EFFECTS ON THE BONDING AND PROPERTIES OF THE HYDRIDES OFPLATINUM, The Journal of chemical physics, 98(12), 1993, pp. 9678-9686
Authors:
DYALL KG
PARTRIDGE H
Citation: Kg. Dyall et H. Partridge, RELATIVISTIC CORRECTIONS TO THE PROPERTIES OF THE ALKALI FLUORIDES, Chemical physics letters, 206(5-6), 1993, pp. 565-567
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