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Journal Abstract Search

936 related items for PubMed ID: 19102525

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  • 2. Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states.
    Shen J, Li S.
    J Chem Phys; 2009 Nov 07; 131(17):174101. PubMed ID: 19894992
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  • 4. Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking.
    Fang T, Li S.
    J Chem Phys; 2007 Nov 28; 127(20):204108. PubMed ID: 18052420
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  • 5. Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference.
    Ivanov VV, Adamowicz L, Lyakh DI.
    J Chem Phys; 2006 May 14; 124(18):184302. PubMed ID: 16709101
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  • 6. New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.
    Kowalski K, Piecuch P.
    J Chem Phys; 2004 Jan 22; 120(4):1715-38. PubMed ID: 15268302
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  • 8. Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium.
    Lehtonen O, Sundholm D, Send R, Johansson MP.
    J Chem Phys; 2009 Jul 14; 131(2):024301. PubMed ID: 19603985
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  • 12. Ab initio study of the electronic spectrum of peroxyacetyl nitrate.
    Francisco JS, Li Y.
    J Chem Phys; 2004 Oct 01; 121(13):6298-301. PubMed ID: 15446924
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  • 14. An extended multireference study of the electronic states of para-benzyne.
    Wang EB, Parish CA, Lischka H.
    J Chem Phys; 2008 Jul 28; 129(4):044306. PubMed ID: 18681645
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  • 15. The multiconfigurational-reference internally contracted configuration interaction/complete basis set study of the excited states of the trifluoride anion F3(-).
    Czernek J, Zivný O.
    J Chem Phys; 2008 Nov 21; 129(19):194305. PubMed ID: 19026058
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  • 16. High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.
    Kurashige Y, Yanai T.
    J Chem Phys; 2009 Jun 21; 130(23):234114. PubMed ID: 19548718
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  • 19. Performance of block correlated coupled cluster method with the CASSCF reference function for the prediction of activation barriers, spectroscopic constants in diatomic molecules, and singlet-triplet gaps in diradicals.
    Shen J, Fang T, Li S, Jiang Y.
    J Phys Chem A; 2008 Dec 04; 112(48):12518-25. PubMed ID: 19006279
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