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Molecular tailoring approach in conjunction with MP2 and Ri‐MP2 codes: A comparison with fragment molecular orbital method
Authors:Anuja P Rahalkar  Michio Katouda  Shridhar R Gadre  Shigeru Nagase
Institution:1. Department of Chemistry, University of Pune, Pune 411007, India;2. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaji, Okazaki, Aichi 444‐8585, Japan
Abstract:
Keywords:  ller‐Plesset second order perturbation theory (MP2)  resolution of identity MP2 (RI‐MP2) method  Molecular tailoring approach (MTA)  fragment molecular orbital (FMO)  divide‐and‐conquer (DC)
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