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223 related items for PubMed ID: 20726630

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  • 2. 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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  • 3. Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization.
    Mahapatra US, Chattopadhyay S.
    J Chem Phys; 2011 Jan 28; 134(4):044113. PubMed ID: 21280693
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  • 5. 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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  • 6. Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemes.
    Mahapatra US, Chattopadhyay S.
    J Comput Chem; 2012 May 30; 33(14):1285-303. PubMed ID: 22419455
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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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  • 13. Perturbative triples corrections in state-specific multireference coupled cluster theory.
    Evangelista FA, Prochnow E, Gauss J, Schaefer HF.
    J Chem Phys; 2010 Feb 21; 132(7):074107. PubMed ID: 20170215
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  • 16. Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene.
    Mahapatra US, Chattopadhyay S, Chaudhuri RK.
    J Comput Chem; 2011 Jan 30; 32(2):325-37. PubMed ID: 20683857
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  • 17. Communication: spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: a measure for the coupling contribution.
    Mück LA, Gauss J.
    J Chem Phys; 2012 Mar 21; 136(11):111103. PubMed ID: 22443742
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  • 18. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.
    Chen Z, Hoffmann MR.
    J Chem Phys; 2012 Jul 07; 137(1):014108. PubMed ID: 22779638
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  • 19. Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy.
    Chattopadhyay S, Mitra A, Sinha D.
    J Chem Phys; 2006 Dec 28; 125(24):244111. PubMed ID: 17199344
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  • 20. Molecular Applications of a Size-Consistent State-Specific Multireference Perturbation Theory with Relaxed Model-Space Coefficients.
    Sinha Mahapatra U, Datta B, Mukherjee D.
    J Phys Chem A; 1999 Mar 25; 103(12):1822-30. PubMed ID: 27384147
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