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Results: 1-10 |
Results: 10
GENERALIZED INTEGRAL-SCREENING FOR EFFICIENT CALCULATIONS OF NONLINEAR-OPTICAL PROPERTIES OF LARGE MOLECULES
Authors: RUUD K JONSSON D NORMAN P AGREN H SAUE T JENSEN HJA DAHLE P HELGAKER T
Citation: K. Ruud et al., GENERALIZED INTEGRAL-SCREENING FOR EFFICIENT CALCULATIONS OF NONLINEAR-OPTICAL PROPERTIES OF LARGE MOLECULES, The Journal of chemical physics, 108(19), 1998, pp. 7973-7979
DIRECT RELATIVISTIC MP2 - PROPERTIES OF GROUND-STATE CUF, AGF AND AUF
Authors: LAERDAHL JK SAUE T FAEGRI K
Citation: Jk. Laerdahl et al., DIRECT RELATIVISTIC MP2 - PROPERTIES OF GROUND-STATE CUF, AGF AND AUF, Theoretical chemistry accounts, 97(1-4), 1997, pp. 177-184
CL 2P-PHOTOELECTRON SPECTRUM OF HCL STUDIED BY FULLY RELATIVISTIC, SELF-CONSISTENT-FIELD, AND CONFIGURATION-INTERACTION CALCULATIONS
Authors: ELLINGSEN K SAUE T AKSELA H GROPEN O
Citation: K. Ellingsen et al., CL 2P-PHOTOELECTRON SPECTRUM OF HCL STUDIED BY FULLY RELATIVISTIC, SELF-CONSISTENT-FIELD, AND CONFIGURATION-INTERACTION CALCULATIONS, Physical review. A, 55(4), 1997, pp. 2743-2747
AB-INITIO STUDY OF PT-ODD INTERACTIONS IN THALLIUM FLUORIDE
Authors: LAERDAHL JK SAUE T FAEGRI K QUINEY HM
Citation: Jk. Laerdahl et al., AB-INITIO STUDY OF PT-ODD INTERACTIONS IN THALLIUM FLUORIDE, Physical review letters, 79(9), 1997, pp. 1642-1645
PRINCIPLES OF DIRECT 4-COMPONENT RELATIVISTIC SCF - APPLICATION TO CESIUM AURIDE
Authors: SAUE T FAEGRI K HELGAKER T GROPEN O
Citation: T. Saue et al., PRINCIPLES OF DIRECT 4-COMPONENT RELATIVISTIC SCF - APPLICATION TO CESIUM AURIDE, Molecular physics, 91(5), 1997, pp. 937-950
EXTENSIVE RELATIVISTIC CALCULATIONS ON THE PALLADIUM HYDRIDE MOLECULE
Authors: SJOVOLL M FAGERLI H GROPEN O ALMLOF J SAUE T OLSEN J HELGAKER T
Citation: M. Sjovoll et al., EXTENSIVE RELATIVISTIC CALCULATIONS ON THE PALLADIUM HYDRIDE MOLECULE, The Journal of chemical physics, 107(14), 1997, pp. 5496-5501
THE 4-COMPONENT RANDOM-PHASE-APPROXIMATION METHOD APPLIED TO THE CALCULATION OF FREQUENCY-DEPENDENT DIPOLE POLARIZABILITIES
Authors: VISSCHER L SAUE T ODDERSHEDE J
Citation: L. Visscher et al., THE 4-COMPONENT RANDOM-PHASE-APPROXIMATION METHOD APPLIED TO THE CALCULATION OF FREQUENCY-DEPENDENT DIPOLE POLARIZABILITIES, Chemical physics letters, 274(1-3), 1997, pp. 181-188
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
RELATIVISTIC EFFECTS ON THE BONDING OF HEAVY AND SUPERHEAVY HYDROGEN HALIDES
Authors: SAUE T FAEGRI K GROPEN O
Citation: T. Saue et al., RELATIVISTIC EFFECTS ON THE BONDING OF HEAVY AND SUPERHEAVY HYDROGEN HALIDES, Chemical physics letters, 263(3-4), 1996, pp. 360-366
THE ELECTRONIC-STRUCTURE OF THE PTH MOLECULE - FULLY RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS OF THE GROUND AND EXCITED-STATES
Authors: VISSCHER L SAUE T NIEUWPOORT WC FAEGRI K GROPEN O
Citation: L. Visscher et al., THE ELECTRONIC-STRUCTURE OF THE PTH MOLECULE - FULLY RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS OF THE GROUND AND EXCITED-STATES, The Journal of chemical physics, 99(9), 1993, pp. 6704-6715
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