| 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 | 67 | 2018 |
| 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 | 31 | 2021 |
| 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 | 25 | 2021 |
| 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 | 25 | 2020 |
| 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 | 23 | 2019 |
| 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 | 22 | 2020 |
| 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 | 22 | 2020 |
| 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 | 18 | 2019 |
| 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 | 17 | 2020 |
| 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 | 17 | 2018 |
| 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 | 14 | 2019 |
| 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 | 13 | 2020 |
| 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 | 12 | 2020 |
| Pharmacognostical standardization of leaves of Hygrophila spinosa T A Patra, NP Murthy, S Jha Anders Phcog J 1 (2), 82-87, 2009 | 12 | 2009 |
| 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 | 11 | 2018 |
| 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 | 8 | 2018 |
| 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 | 7 | 2018 |
| 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 | 5 | 2022 |
| 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 | 4 | 2022 |
| Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems A Patra, P Samal Chemical Physics Letters 720, 70-75, 2019 | 4 | 2019 |
Prasanjit SamalNational Institute of Science Education and Research, INDIA在 niser.ac.in 的电子邮件经过验证
