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Issue Date
Title
Author(s)
2022-04-10
Advance density functionals based on model exchange holes for a wide range of molecular and sold state systems
Patra, Abhilash
;
Samal, Prasanjit
2022-04-05
Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles
Hossain, Manoar
;
Bhattacharjee, Joydeep
2022-03-10
Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals
Patra, Bikash
;
Samal, Prasanjit
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Author
2
Samal, Prasanjit
1
Bhattacharjee, Joydeep
1
Hossain, Manoar
1
Patra, Abhilash
1
Patra, Bikash
Subject
1
Armchair Graphene Nanoribbons
1
Armchair Graphene Nanoribbons (AGNR)
1
Band Gap of Solid State Systems
1
Bandgap Calculation
1
Born Oppenheimer Approximation
1
Density Matrix Expansion
1
Exchange Correlation Functional
1
Hartree Fock (HF) Theory
1
Hartree Interaction
1
Humo Lumo Gap
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Date issued
3
2022
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