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Zaporozhets, Irina A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2015) Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation. The Journal of Chemical Physics, 143 (2). 24109pp. doi:10.1063/1.4926392

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Reference TypeJournal (article/letter/editorial)
TitleDiscontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation
JournalThe Journal of Chemical Physics
AuthorsZaporozhets, Irina A.Author
Ivanov, Vladimir V.Author
Lyakh, Dmitry I.Author
Adamowicz, LudwikAuthor
Year2015 (July 14)Volume143
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4926392Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2380904Long-form Identifiermindat:1:5:2380904:2
GUID0
Full ReferenceZaporozhets, Irina A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2015) Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation. The Journal of Chemical Physics, 143 (2). 24109pp. doi:10.1063/1.4926392
Plain TextZaporozhets, Irina A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2015) Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation. The Journal of Chemical Physics, 143 (2). 24109pp. doi:10.1063/1.4926392
In(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing

See Also

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Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I. (2006) Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference. The Journal of Chemical Physics, 124 (18). 184302pp. doi:10.1063/1.2190221
Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik (2005) Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference. The Journal of Chemical Physics, 122 (2). 24108pp. doi:10.1063/1.1824897
Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik (2007) State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2molecule. Molecular Physics, 105. 1335-1357 doi:10.1080/00268970701332539
Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik (2008) A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states. The Journal of Chemical Physics, 128 (7). 74101pp. doi:10.1063/1.2828548
Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I. (2005) Multireference State-Specific Coupled-Cluster Theory and Multiconfigurationality Index. BH Dissociation. Collection of Czechoslovak Chemical Communications, 70. 1017-1033 doi:10.1135/cccc20051017
Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I. (2006) Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation. Journal of Molecular Structure: THEOCHEM, 768. 97-101 doi:10.1016/j.theochem.2006.04.043
Klimenko, Tatyana A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2010) A calculation of spectroscopic parameters for hydrogen fluoride with multi-reference state-specific coupled-cluster method. Chemical Physics Letters, 493. 173-178 doi:10.1016/j.cplett.2010.04.075
Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz *, Ludwik (2005) New indices for describing the multi-configurational nature of the coupled cluster wave function. Molecular Physics, 103. 2131-2139 doi:10.1080/00268970500083283
Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2009) Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives. Physical Chemistry Chemical Physics, 11 (14). 2355pp. doi:10.1039/b818590p
Ivanov, Vladimir V., Adamowicz, Ludwik (2000) New scheme for solving the amplitude equations in the state-specific coupled cluster theory with complete active space reference for ground and excited states. The Journal of Chemical Physics, 113 (19). 8503-8513 doi:10.1063/1.1318758
Adamowicz, Ludwik, Malrieu, Jean–Paul, Ivanov, Vladimir (2002) Alternative Multi–reference State–specific Coupled Cluster Wave Functions. International Journal of Molecular Sciences, 3. 522-549 doi:10.3390/i3050522
 
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