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593 related items for PubMed ID: 22920100

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  • 3. Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications.
    Maitra R, Sinha D, Mukherjee D.
    J Chem Phys; 2012 Jul 14; 137(2):024105. PubMed ID: 22803526
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  • 4. 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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  • 8. Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: development and applications.
    Das S, Pathak S, Datta D, Mukherjee D.
    J Chem Phys; 2012 Apr 28; 136(16):164104. PubMed ID: 22559467
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  • 10. 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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  • 11. Inclusion of selected higher excitations involving active orbitals in the state-specific multireference coupled-cluster theory.
    Das S, Kállay M, Mukherjee D.
    J Chem Phys; 2010 Dec 21; 133(23):234110. PubMed ID: 21186861
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  • 12. Potential energy surface studies via a single root multireference coupled cluster theory.
    Mahapatra US, Chattopadhyay S.
    J Chem Phys; 2010 Aug 21; 133(7):074102. PubMed ID: 20726630
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  • 16. Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster Theory.
    Datta D, Gauss J.
    J Chem Theory Comput; 2019 Mar 12; 15(3):1572-1592. PubMed ID: 30698956
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  • 18. Communication: spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme.
    Datta D, Gauss J.
    J Chem Phys; 2015 Jul 07; 143(1):011101. PubMed ID: 26156456
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  • 19. Full implementation and benchmark studies of Mukherjee's state-specific multireference coupled-cluster ansatz.
    Das S, Mukherjee D, Kállay M.
    J Chem Phys; 2010 Feb 21; 132(7):074103. PubMed ID: 20170211
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