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Abhilash Patra
Abhilash Patra
Postdoctoral Scholar, University of South Carolina
Verified email at usc.edu - Homepage
Title
Cited by
Cited by
Year
Assessing the performance of the Tao-Mo semilocal density functional in the projector-augmented-wave method
S Jana, A Patra, P Samal
The Journal of Chemical Physics 149 (4), 2018
622018
Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals
F Tran, J Doumont, L Kalantari, P Blaha, T Rauch, P Borlido, S Botti, ...
The Journal of Chemical Physics 155 (10), 2021
292021
Efficient band structure calculation of two-dimensional materials from semilocal density functionals
A Patra, S Jana, P Samal, F Tran, L Kalantari, J Doumont, P Blaha
The Journal of Physical Chemistry C 125 (20), 11206-11215, 2021
242021
Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response
S Jana, A Patra, LA Constantin, P Samal
The Journal of Chemical Physics 152 (4), 2020
242020
Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids
A Patra, S Jana, H Myneni, P Samal
Physical Chemistry Chemical Physics 21 (35), 19639-19650, 2019
222019
A way of resolving the order-of-limit problem of Tao–Mo semilocal functional
A Patra, S Jana, P Samal
The Journal of Chemical Physics 153 (18), 2020
212020
Electronic band structure of layers within meta generalized gradient approximation of density functionals
A Patra, B Patra, LA Constantin, P Samal
Physical Review B 102 (4), 045135, 2020
212020
Long-range screened hybrid-functional theory satisfying the local-density linear response
S Jana, A Patra, LA Constantin, H Myneni, P Samal
Physical Review A 99 (4), 042515, 2019
182019
Insights from the density functional performance of water and water–solid interactions: Scan in relation to other meta-ggas
S Jana, A Patra, S Śmiga, LA Constantin, P Samal
The Journal of Chemical Physics 153 (21), 2020
172020
Efficient lattice constants and energy bandgaps for condensed systems from a meta-GGA level screened range-separated hybrid functional
S Jana, A Patra, P Samal
The Journal of Chemical Physics 149 (9), 2018
172018
Performance of Tao–Mo Semilocal Functional with rVV10 Dispersion-Correction: Influence of Different Correlation
A Patra, S Jana, P Samal
The Journal of Physical Chemistry A 123 (49), 10582-10593, 2019
142019
Efficient yet accurate dispersion-corrected semilocal exchange–correlation functionals for non-covalent interactions
A Patra, S Jana, LA Constantin, P Samal
The Journal of Chemical Physics 153 (8), 2020
122020
Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems
A Patra, S Jana, LA Constantin, L Chiodo, P Samal
The Journal of Chemical Physics 152 (15), 2020
122020
Gradient approximated exchange energy functionals with improved performances for two-dimensional quantum dot systems
S Jana, A Patra, P Samal
Physica E: Low-dimensional Systems and Nanostructures 97, 268-276, 2018
112018
A parameter-free semilocal exchange energy functional for two-dimensional quantum systems
A Patra, S Jana, P Samal
The Journal of Physical Chemistry A 122 (13), 3455-3461, 2018
82018
Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions
A Patra, S Jana, P Samal
The Journal of Chemical Physics 148 (13), 2018
72018
Recent advances toward efficient calculation of higher nuclear derivatives in quantum chemistry
S Bac, A Patra, KJ Kron, S Mallikarjun Sharada
The Journal of Physical Chemistry A 126 (43), 7795-7805, 2022
42022
Phase evolution in thermally annealed Ni/Bi multilayers studied by X-ray absorption spectroscopy
B Das, M Sahoo, A Patra, AK Yadav, SN Jha, P Samal, K Senapati, ...
Physical Chemistry Chemical Physics 24 (7), 4415-4424, 2022
42022
Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems
A Patra, P Samal
Chemical Physics Letters 720, 70-75, 2019
42019
Accurate band gaps from exchange potentials designed from a cuspless hydrogen density-based exchange hole model
A Patra, B Patra, P Samal
Physical Chemistry Chemical Physics 24 (22), 13633-13640, 2022
22022
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Articles 1–20