Zobrazeno 1 - 10 of 94 pro vyhledávání: '"Amlan K. Roy"'
1
Akademický článek
Hydrogen-like Plasmas under Endohedral Cavity
Autor: Saptarshi Chowdhury, Neetik Mukherjee, Amlan K. Roy
Publikováno v: Quantum Reports, Vol 5, Iss 2, Pp 459-474 (2023)
Over the past few decades, confined quantum systems have emerged to be a subject of considerable importance in physical, chemical and biological sciences. Under such stressed conditions, they display many fascinating and notable physical and chemical
Externí odkaz: https://doaj.org/article/81e5ccd019b14a6e922437e76eb9d5c2
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2
Akademický článek
Recent Advances in Cartesian-Grid DFT in Atoms and Molecules
Autor: Sangita Majumdar, Amlan K. Roy
Publikováno v: Frontiers in Chemistry, Vol 10 (2022)
In the past several decades, density functional theory (DFT) has evolved as a leading player across a dazzling variety of fields, from organic chemistry to condensed matter physics. The simple conceptual framework and computational elegance are the u
Externí odkaz: https://doaj.org/article/76257924122b4acaaef434fc5fae5606
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6
Charge-Transfer Excitation within a Hybrid-(G)KS Framework through Cartesian Grid DFT
Autor: Raj Roy, Abhisek Ghosal, Amlan K. Roy
Publikováno v: The Journal of Physical Chemistry A. 126:1448-1457
Organic molecules that exhibit charge-transfer (CT) excited states are known to play an important role in processes linked to electron transfer properties and molecular conductance. In this article, we present a simple technique based on "Becke's exc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eaef69657e6f78f85ec18b5a23eca7d6
https://doi.org/10.1021/acs.jpca.1c10593
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8
A Simple Effective SCF Method for Computing Optical Gaps in Organic Chromophores
Autor: Abhisek Ghosal, Amlan K. Roy, Raj Kumar Roy
Publikováno v: Chemistry – An Asian Journal. 16:2729-2739
Photoluminescence effects in organic chromophores are of significant importance and requires precise description of low lying excited states. In this communication, we put forward an alternative time-independent DFT scheme for computing lowest single
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9beb085b42b3bbc5a7ee43507d111b61
https://doi.org/10.1002/asia.202100692
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10
Ro-vibrational energy and thermodynamic properties of molecules subjected to Deng-Fan potential through an improved approximation
Autor: Amlan K. Roy, Debraj Nath
Accurate solution of the Schr\"odinger equation with Deng-Fan potential is presented by means of Nikiforov-Uvarov method. A modified Pekeris-type approximation is proposed for the centrifugal term, from a linear combination of the $r \to 0$ and $r \t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3112b3521580f57a3cbbbb8b54a24ee8
http://arxiv.org/abs/2205.09590
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