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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

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Reference TypeJournal (article/letter/editorial)
TitleState-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2molecule
JournalMolecular Physics
AuthorsLyakh, Dmitry I.Author
Ivanov, Vladimir V.Author
Adamowicz, LudwikAuthor
Year2007 (May 20)Volume105
PublisherInforma UK Limited
DOIdoi:10.1080/00268970701332539Search in ResearchGate
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Mindat Ref. ID5979086Long-form Identifiermindat:1:5:5979086:8
GUID0
Full ReferenceLyakh, 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
Plain TextLyakh, 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
In(n.d.) Molecular Physics Vol. 105. Informa UK Limited

See Also

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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
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
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, 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
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
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. (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
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
Adamowicz, Ludwik, Malrieu, Jean-Paul, Ivanov, Vladimir V. (2000) New approach to the state-specific multireference coupled-cluster formalism. The Journal of Chemical Physics, 112 (23). 10075-10084 doi:10.1063/1.481649
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., 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
 
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