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Fægri, K., Almlöf, J. (1984) Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds. Chemical Physics Letters, 107. 121-124 doi:10.1016/0009-2614(84)85684-5

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Reference TypeJournal (article/letter/editorial)
TitleNi(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds
JournalChemical Physics Letters
AuthorsFægri, K.Author
Almlöf, J.Author
Year1984 (May)Volume107
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(84)85684-5Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5877260Long-form Identifiermindat:1:5:5877260:7
GUID0
Full ReferenceFægri, K., Almlöf, J. (1984) Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds. Chemical Physics Letters, 107. 121-124 doi:10.1016/0009-2614(84)85684-5
Plain TextFægri, K., Almlöf, J. (1984) Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds. Chemical Physics Letters, 107. 121-124 doi:10.1016/0009-2614(84)85684-5
In(n.d.) Chemical Physics Letters Vol. 107. Elsevier BV

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Almlöf, Jan, Fægri, Knut, Schilling, Brigitte E.R., L:uthi, Hans P. (1984) An investigation of correlation effects in transition-metal sandwich complexes. Hartree-Fock studies on a series of metallocenes. Chemical Physics Letters, 106. 266-270 doi:10.1016/0009-2614(84)80293-6
Gázquez, José L., Ortiz, E., Robles, J. (1984) Simulated transition state for the hartree-fock and hartree-fock-slater methods. Chemical Physics Letters, 109. 394-397 doi:10.1016/0009-2614(84)85608-0
Almlöf, J., Fægri, K., Grelland, H.H. (1985) A variational approach to relativistic effects in LCAO calculations. Chemical Physics Letters, 114. 53-57 doi:10.1016/0009-2614(85)85054-5
Lüthi, Hans P., Siegbahn, Per E.M., Almlöf, Jan, Fægri, Knut, Heiberg, Anders (1984) The effect of electron correlation on the metal—ligand bond in ferrocene. Chemical Physics Letters, 111. 1-6 doi:10.1016/0009-2614(84)80427-3
Böhm, Michael C. (1984) A semi-empirical self-consistent-field hartree—fock crystal-orbital investigation on highly puckered porphyrinatonickel(II) backbones. Chemical Physics Letters, 107. 322-329 doi:10.1016/0009-2614(84)85137-4
Aerts, P.J.C. (1984) Use of molecular symmetry in Hartree-Fock-Dirac SCF calculations. Chemical Physics Letters, 104. 28-30 doi:10.1016/0009-2614(84)85299-9
Yamaguchi, Kizashi (1979) Singlet unrestricted Hartree-Fock Slater (UHFS) model for unstable metalmetal bonds. Chemical Physics Letters, 66. 395-399 doi:10.1016/0009-2614(79)85043-5
Dykstra, Clifford E., Jasien, Paul G. (1984) Derivative Hartree—Fock theory to all orders. Chemical Physics Letters, 109. 388-393 doi:10.1016/0009-2614(84)85607-9
Morokuma, K., Iwata, S. (1972) Extended Hartree-Fock theory for excited states. Chemical Physics Letters, 16. 192-197 doi:10.1016/0009-2614(72)80489-5
Yamaguchi, Kizashi (1975) The electronic structures of biradicals in the unrestricted Hartree-Fock approximation. Chemical Physics Letters, 33. 330-335 doi:10.1016/0009-2614(75)80169-2
Day, Richard S., Martino, Frank (1981) Hartree-Fock calculation for disordered polymers. Chemical Physics Letters, 84. 86-90 doi:10.1016/0009-2614(81)85374-2
 
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