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Kim, Inkoo, Park, Young Choon, Kim, Hyungjun, Lee, Yoon Sup (2012) Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods. Chemical Physics, 395. 115-121 doi:10.1016/j.chemphys.2011.05.002

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Reference TypeJournal (article/letter/editorial)
TitleSpin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods
JournalChemical Physics
AuthorsKim, InkooAuthor
Park, Young ChoonAuthor
Kim, HyungjunAuthor
Lee, Yoon SupAuthor
Year2012 (February)Volume395
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.05.002Search in ResearchGate
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Mindat Ref. ID5962841Long-form Identifiermindat:1:5:5962841:9
GUID0
Full ReferenceKim, Inkoo, Park, Young Choon, Kim, Hyungjun, Lee, Yoon Sup (2012) Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods. Chemical Physics, 395. 115-121 doi:10.1016/j.chemphys.2011.05.002
Plain TextKim, Inkoo, Park, Young Choon, Kim, Hyungjun, Lee, Yoon Sup (2012) Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods. Chemical Physics, 395. 115-121 doi:10.1016/j.chemphys.2011.05.002
In(n.d.) Chemical Physics Vol. 395. Elsevier BV

See Also

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Park, Young-Choon, Lim, Ivan S., Lee, Yoon-Sup (2012) Two-Component Spin-orbit Effective Core Potential Calculations with an All-electron Relativistic Program DIRAC. Bulletin of the Korean Chemical Society, 33. 803-808 doi:10.5012/bkcs.2012.33.3.803
Jeong Choi, Yoon, Han, Young-Ku, Lee, Yoon Sup (2001) The convergence of spin–orbit configuration interaction calculations for TlH and (113)H. The Journal of Chemical Physics, 115 (8). 3448-3453 doi:10.1063/1.1389289
Lee, Hyo-Sug, Han, Young-Kyu, Kim, Myeong Cheol, Bae, Cheolbeom, Lee, Yoon Sup (1998) Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au2, TlH and Tl2. Chemical Physics Letters, 293. 97-102 doi:10.1016/s0009-2614(98)00760-x
Kim, Hyoseok, Park, Young Choon, Lee, Yoon Sup (2014) Spin-orbit Effects on the Structure of Haloiodomethane Cations CH2XI+(X=F, Cl, Br, and I). Bulletin of the Korean Chemical Society, 35. 775-782 doi:10.5012/bkcs.2014.35.3.775
Kim, Inkoo, Lee, Yoon Sup (2014) Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential. The Journal of Chemical Physics, 141 (16). 164104pp. doi:10.1063/1.4898153
Kim, Joonghan, Yoon, Kihwan, Shin, Hyuna, Oh, Dakyeung, Lim, Jeong Sik (2021) Multireference configuration interaction and coupled cluster study of Gold monosulfide (AuS) including spin–orbit coupling. Molecular Physics, 119 (12) doi:10.1080/00268976.2021.1922774
Kim, Inkoo, Lee, Yoon Sup (2013) Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms. The Journal of Chemical Physics, 139 (13). 134115pp. doi:10.1063/1.4822426
Seo, Jung-In, Kim, Inkoo, Lee, Yoon Sup (2009) π–π Interaction energies in monosubstituted-benzene dimers in parallel- and antiparallel-displaced conformations. Chemical Physics Letters, 474. 101-106 doi:10.1016/j.cplett.2009.04.040
Ahn, Doo-Sik, Lee, Jeongmook, Choon Park, Young, Sup Lee, Yoon, Kyu Kim, Sang (2012) Nuclear motion captured by the slow electron velocity imaging technique in the tunnelling predissociation of the S1 methylamine. The Journal of Chemical Physics, 136 (2). 24306pp. doi:10.1063/1.3675566
Myeong Cheol Kim, , Sang Yeon Lee, , Yoon Sup Lee, (1996) Spin-orbit effects calculated by a configuration interaction method using determinants of two-component molecular spinors: test calculations on Rn and T1H. Chemical Physics Letters, 253. 216-222 doi:10.1016/0009-2614(96)00262-x
Fleig, Timo (2012) Invited review: Relativistic wave-function based electron correlation methods. Chemical Physics, 395. 2-15 doi:10.1016/j.chemphys.2011.06.032
 
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