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575 related items for PubMed ID: 18052420

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  • 2. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.
    Fang T, Shen J, Li S.
    J Chem Phys; 2008 Jun 14; 128(22):224107. PubMed ID: 18554006
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  • 4. 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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  • 5. Spectroscopic constants of single-bond diatomic molecules and singlet-triplet gaps of diradicals by the block-correlated coupled cluster theory.
    Shen J, Fang T, Hua W, Li S.
    J Phys Chem A; 2008 May 22; 112(20):4703-9. PubMed ID: 18433169
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  • 6. Canonical transformation theory for multireference problems.
    Yanai T, Chan GK.
    J Chem Phys; 2006 May 21; 124(19):194106. PubMed ID: 16729802
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  • 7. 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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  • 8. State specific equation of motion coupled cluster method in general active space.
    Kong L, Shamasundar KR, Demel O, Nooijen M.
    J Chem Phys; 2009 Mar 21; 130(11):114101. PubMed ID: 19317525
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  • 9. High-order excitations in state-universal and state-specific multireference coupled cluster theories: model systems.
    Evangelista FA, Allen WD, Schaefer HF.
    J Chem Phys; 2006 Oct 21; 125(15):154113. PubMed ID: 17059245
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  • 10. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ.
    J Chem Phys; 2007 Jun 28; 126(24):244105. PubMed ID: 17614535
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  • 11. Block-correlated coupled cluster theory: the general formulation and its application to the antiferromagnetic Heisenberg model.
    Li S.
    J Chem Phys; 2004 Mar 15; 120(11):5017-26. PubMed ID: 15267367
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  • 15. Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory.
    Chaudhuri RK, Freed KF, Chattopadhyay S, Sinha Mahapatra U.
    J Chem Phys; 2008 Apr 14; 128(14):144304. PubMed ID: 18412442
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  • 16. Coupled-cluster method tailored by configuration interaction.
    Kinoshita T, Hino O, Bartlett RJ.
    J Chem Phys; 2005 Aug 15; 123(7):074106. PubMed ID: 16229558
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  • 17. A coupled cluster approach with excitations up to six orbital pairs: the formulation and test applications for bond breaking processes.
    Xu E, Kou Z, Li S.
    J Chem Phys; 2011 Jun 21; 134(23):234104. PubMed ID: 21702547
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  • 18. The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
    Datta D, Mukherjee D.
    J Chem Phys; 2011 Feb 07; 134(5):054122. PubMed ID: 21303107
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  • 19. Automated generation of coupled-cluster diagrams: implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference.
    Lyakh DI, Ivanov VV, Adamowicz L.
    J Chem Phys; 2005 Jan 08; 122(2):024108. PubMed ID: 15638573
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  • 20. Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples.
    Casanova D, Slipchenko LV, Krylov AI, Head-Gordon M.
    J Chem Phys; 2009 Jan 28; 130(4):044103. PubMed ID: 19191373
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