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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A comparative study of core-extensive and core-valence-extensive coupled-cluster theories for energy differences: excitation energies
TL;DR: In this article, the relative computational efficacies of the open-shell coupled-cluster (OSCC) theory and the CC-based linear response theory (CC-LRT) for computing excitation energies directly were investigated.
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Jahn-Teller intersections induced by introduction of bending in linear polyatomics: study with HCNH, a selected molecular system.
Anita Das,Debasis Mukhopadhyay +1 more
TL;DR: A combined study using both the potential intersections and the angular nonadiabatic coupling terms (NACTs) and report two new results: the appearance of the JT conical intersections (ci's) between the two lowest states of a slightly bent HCNH molecule and the existence of the intersection of the state 1(2)A" with the state 2( 2)A'.
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A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections.
András Csehi,Attila Bende,Gábor J. Halász,Ágnes Vibók,Anita Das,Debasis Mukhopadhyay,Michael Baer +6 more
TL;DR: The present study is characterized by planar contours that intersect the collinear axis, thus, forming a unique type of RT-non-adiabatic coupling terms (NACT) expressed in terms of Dirac-δ functions, and reveals an unexpected result of the following kind.
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Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films
TL;DR: In this paper, the structure of nonlinear optical coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states for polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton.
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Vibronic analysis of overlapping resonances and the third‐harmonic‐generation spectrum of β‐carotene
TL;DR: In this paper, the Condon approximation for displaced harmonic oscillators in the region of overlapping three and two-photon resonances is obtained, where enhanced THG intensity and explicit dependence on the relative signs of the displacements are found.