D
Debasis Mukhopadhyay
Researcher at University of Calcutta
Publications - 45
Citations - 836
Debasis Mukhopadhyay is an academic researcher from University of Calcutta. The author has contributed to research in topics: Diabatic & Coupled cluster. The author has an hindex of 15, co-authored 43 publications receiving 791 citations. Previous affiliations of Debasis Mukhopadhyay include Indian Association for the Cultivation of Science & Princeton University.
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Aspects of separability in the coupled cluster based direct methods for energy differences
TL;DR: It is shown that both the main and the satellite peaks from UCC-LRT for the one valence problems are core-valence extensive owing to the hermitized nature of the underlying operator to be diagonalized, and hence the energy differences are fully extensive.
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The construction of a size-extensive intermediate Hamiltonian in a coupled-cluster framework
TL;DR: In this article, a size-extensive formulation for an intermediate Hamiltonian H int, furnishing sizeextensive energies for the main roots, is presented, and the working model space, comprised of the main and intermediate space, is taken as complete.
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Applications of open-shell coupled cluster theory using an eigenvalue-independent partitioning technique: Approximate inclusion of triples in IP calculations
TL;DR: In this article, the eigenvalue-independent partitioning (EIP) approach for the calculation of open-shell coupled cluster (CC) energy differences was used to compute the ionization potentials of HF and H 2 O using basis sets with and without polarization functions.
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Size-extensive effective Hamiltonian formalisms using quasi-Hilbert and quasi-Fock space strategies with incomplete model spaces
TL;DR: In this paper, an open-shell coupled cluster (CC) theory is developed using an incomplete model space (IMS) that works entirely within one particular n-valence Hilbert space sector.
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Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3
TL;DR: The beyond Born-Oppenheimer approach could incorporate the effect of NACTs accurately and construct single-valued, continuous, smooth, and symmetric diabatic PESs.