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Issue Date
Title
Author(s)
2019-08-14
Investigation of functionalized graphene,hexagonal boron nitride and their hybrids from first principles and mean-field hubbard model in search of controlled magnetism and chemical activation
Maji, Rita
;
Bhattacharjee, Joydeep
2022-04-05
Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles
Hossain, Manoar
;
Bhattacharjee, Joydeep
2023-06
Construction of optimally directed localized basis for arbitrary bond-angles, and correlated real time dynamics in the proposed directed basis for accurate estimation of optical properties of large systems
De, Joydev
;
Bhattacharjee, Joydeep
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Author
1
De, Joydev
1
Hossain, Manoar
1
Maji, Rita
Subject
1
Arbitrary Bond Angles
1
Armchair Graphene Nanoribbons
1
Armchair Graphene Nanoribbons (AGNR)
1
Born Oppenheimer Approximation
1
Catalysis
1
Condensed Matter Physics
1
Density Functional Theory (DFT)
1
Humo Lumo Gap
1
Hybrid Orbitals
1
Large System Optical Properties
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