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Tatewaki, Hiroshi, Watanabe, Yoshihiro (2011) Necessity of including the negative energy space in four-component relativistic calculations for accurate solutions. Chemical Physics, 389. 58-63 doi:10.1016/j.chemphys.2011.07.028

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Reference TypeJournal (article/letter/editorial)
TitleNecessity of including the negative energy space in four-component relativistic calculations for accurate solutions
JournalChemical Physics
AuthorsTatewaki, HiroshiAuthor
Watanabe, YoshihiroAuthor
Year2011 (November)Volume389
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.07.028Search in ResearchGate
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Mindat Ref. ID5962710Long-form Identifiermindat:1:5:5962710:0
GUID0
Full ReferenceTatewaki, Hiroshi, Watanabe, Yoshihiro (2011) Necessity of including the negative energy space in four-component relativistic calculations for accurate solutions. Chemical Physics, 389. 58-63 doi:10.1016/j.chemphys.2011.07.028
Plain TextTatewaki, Hiroshi, Watanabe, Yoshihiro (2011) Necessity of including the negative energy space in four-component relativistic calculations for accurate solutions. Chemical Physics, 389. 58-63 doi:10.1016/j.chemphys.2011.07.028
In(n.d.) Chemical Physics Vol. 389. Elsevier BV

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Tatewaki, Hiroshi, Watanabe, Yoshihiro, Yamamoto, Shigeyoshi, Miyoshi, Eisaku (2006) Electronic structure of the GdF molecule by frozen-core four-component relativistic configuration interaction calculations. The Journal of Chemical Physics, 125 (4). 44309pp. doi:10.1063/1.2222351
Tatewaki, Hiroshi, Yamamoto, Shigeyoshi, Moriyama, Hiroko, Watanabe, Yoshihiro (2009) Electron affinity of lead: An ab initio four-component relativistic study. Chemical Physics Letters, 470. 158-161 doi:10.1016/j.cplett.2009.01.079
Watanabe, Yoshihiro, Tatewaki, Hiroshi (2005) Correlation energies for He isoelectronic sequence with Z=2–116 from four-component relativistic configuration interactions. The Journal of Chemical Physics, 123 (7). 74322pp. doi:10.1063/1.1998867
Tatewaki, Hiroshi, Yamamoto, Shigeyoshi, Watanabe, Yoshihiro, Nakano, Haruyuki (2008) Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory. The Journal of Chemical Physics, 128 (21). 214901pp. doi:10.1063/1.2924118
Moriyama, Hiroko, Watanabe, Yoshihiro, Nakano, Haruyuki, Yamamoto, Shigeyoshi, Tatewaki, Hiroshi (2010) Electronic structure of LaO based on frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory. The Journal of Chemical Physics, 132 (12). 124310pp. doi:10.1063/1.3359854
Wasada-Tsutsui, Yuko, Watanabe, Yoshihiro, Tatewaki, Hiroshi (2007) Electronic Structures and Bonding of CeF:  A Frozen-Core Four-Component Relativistic Configuration Interaction Study. The Journal of Physical Chemistry A, 111 (36). 8877-8883 doi:10.1021/jp0709149
Mochizuki, Yuji, Tatewaki, Hiroshi (2001) Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions. Chemical Physics, 273. 135-148 doi:10.1016/s0301-0104(01)00483-9
Wang, Fan, Liu, Wenjian (2005) Benchmark four-component relativistic density functional calculations on Cu2, Ag2, and Au2. Chemical Physics, 311. 63-69 doi:10.1016/j.chemphys.2004.10.019
Moriyama, Hiroko, Watanabe, Yoshihiro, Nakano, Haruyuki, Tatewaki, Hiroshi (2008) Electronic Structure of LaF+and LaF from Frozen-Core Four-Component Relativistic Multiconfigurational Quasidegenerate Perturbation Theory. The Journal of Physical Chemistry A, 112 (12). 2683-2692 doi:10.1021/jp7096197
Yamamoto, Shigeyoshi, Tatewaki, Hiroshi (2010) Excited states of PbF: A four-component relativistic study. The Journal of Chemical Physics, 132 (5). 54303pp. doi:10.1063/1.3298583
Tatewaki, Hiroshi, Koga, Toshikatsu, Mochizuki, Yuji (2003) Prolapses in four-component relativistic Gaussian basis sets. Chemical Physics Letters, 375. 399-405 doi:10.1016/s0009-2614(03)00873-x
 
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