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Christiansen, Phillip A., Pitzer, Kenneth S. (1980) Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations. The Journal of Chemical Physics, 73 (10) 5160-5163 doi:10.1063/1.439995

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Reference TypeJournal (article/letter/editorial)
TitleElectronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations
JournalThe Journal of Chemical Physics
AuthorsChristiansen, Phillip A.Author
Pitzer, Kenneth S.Author
Year1980 (November 15)Volume73
Issue10
PublisherAIP Publishing
DOIdoi:10.1063/1.439995Search in ResearchGate
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Mindat Ref. ID2127384Long-form Identifiermindat:1:5:2127384:5
GUID0
Full ReferenceChristiansen, Phillip A., Pitzer, Kenneth S. (1980) Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations. The Journal of Chemical Physics, 73 (10) 5160-5163 doi:10.1063/1.439995
Plain TextChristiansen, Phillip A., Pitzer, Kenneth S. (1980) Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations. The Journal of Chemical Physics, 73 (10) 5160-5163 doi:10.1063/1.439995
In(1980, November) The Journal of Chemical Physics Vol. 73 (10) AIP Publishing

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Christiansen, Phillip A., Balasubramanian, K., Pitzer, Kenneth S. (1982) Relativistic ab initio molecular structure calculations including configuration interaction with application to six states of TlH. The Journal of Chemical Physics, 76 (10) 5087-5092 doi:10.1063/1.442857
Christiansen, Phillip A., Pitzer, Kenneth S. (1981) Electronic structure and dissociation curves for the ground states of Tl2 and Tl2+ from relativistic effective potential calculations. The Journal of Chemical Physics, 74 (2) 1162-1165 doi:10.1063/1.441223
Lee, Yoon S., Ermler, Walter C., Pitzer, Kenneth S. (1980) Ab initio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe. The Journal of Chemical Physics, 73 (1) 360-366 doi:10.1063/1.439881
Christiansen, Phillip A., Lee, Yoon S., Pitzer, Kenneth S. (1979) Improved ab initio effective core potentials for molecular calculations. The Journal of Chemical Physics, 71 (11) 4445-4450 doi:10.1063/1.438197
Wang, S. W., Pitzer, Kenneth S. (1983) The ground and excited states of PtH and PtH+ by relativistic ab initio electronic structure calculations: A model study for hydrogen chemisorption on platinum surfaces and related photoemission properties. The Journal of Chemical Physics, 79 (8) 3851-3858 doi:10.1063/1.446250
Lee, Yoon S., Ermler, Walter C., Pitzer, Kenneth S., McLean, A. D. (1979) Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations. The Journal of Chemical Physics, 70 (1) 288 doi:10.1063/1.437188
Pitzer, Kenneth S., Christiansen, Phillip A. (1981) Relativistic modifications of covalent bonding in heavy elements. Chemical Physics Letters, 77. 589-592 doi:10.1016/0009-2614(81)85213-x
Ermler, Walter C., Lee, Yoon S., Christiansen, Phillip A., Pitzer, Kenneth S. (1981) AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctions. Chemical Physics Letters, 81. 70-74 doi:10.1016/0009-2614(81)85329-8
Christiansen, Phillip A., Pitzer, Kenneth S. (1982) Reliable static electric dipole polarizabilities for heavy elements. Chemical Physics Letters, 85. 434-436 doi:10.1016/0009-2614(82)83488-x
Pitzer, Kenneth S., Balasubramanian, K. (1982) Properties of ten electronic states of diatomic lead from relativistic quantum calculations. The Journal of Physical Chemistry, 86 (16). 3068-3070 doi:10.1021/j100213a006
Christiansen, Phillip A., Pitzer, Kenneth S., Lee, Yoon S., Yates, John H., Ermler, Walter C., Winter, Nicholas W. (1981) Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers. The Journal of Chemical Physics, 75 (11) 5410-5415 doi:10.1063/1.441941
 
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