| 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 | 62 | 2018 |
| Efficient band gap prediction of semiconductors and insulators from a semilocal exchange-correlation functional B Patra, S Jana, LA Constantin, P Samal Physical Review B, 2019 | 46 | 2019 |
| Relevance of the Pauli kinetic energy density for semilocal functionals B Patra, S Jana, LA Constantin, P Samal Physical Review B 100 (15), 155140, 2019 | 44 | 2019 |
| Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and … S Jana, K Sharma, P Samal The Journal of chemical physics 149 (16), 2018 | 41 | 2018 |
| Improving the performance of Tao–Mo non-empirical density functional with broader applicability in quantum chemistry and materials science S Jana, K Sharma, P Samal The Journal of Physical Chemistry A 123 (29), 6356-6369, 2019 | 35 | 2019 |
| Band gap 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, ... J. Chem. Phys. 155 (10), 104103, 2021 | 30 | 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 | 24 | 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 | 24 | 2020 |
| A meta-GGA level screened range-separated hybrid functional by employing short range Hartree–Fock with a long range semilocal functional S Jana, P Samal Physical Chemistry Chemical Physics 20 (13), 8999-9005, 2018 | 24 | 2018 |
| 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 | 22 | 2019 |
| Long-range corrected density functional through the density matrix expansion based semilocal exchange hole B Patra, S Jana, P Samal Physical Chemistry Chemical Physics 20 (13), 8991-8998, 2018 | 22 | 2018 |
| 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 | 21 | 2020 |
| Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response S Jana, B Patra, S Śmiga, LA Constantin, P Samal Physical Review B 102 (15), 155107, 2020 | 21 | 2020 |
| On the many-electron self-interaction error of the semilocal exchange hole based meta-GGA level range-separated hybrid with the B88 hybrids S Jana, B Patra, H Myneni, P Samal Chemical Physics Letters 713, 1-9, 2018 | 21 | 2018 |
| Accurate density functional made more versatile S Jana, SK Behera, S Śmiga, LA Constantin, P Samal The Journal of Chemical Physics 155 (2), 2021 | 19 | 2021 |
| Screened hybrid meta-GGA exchange–correlation functionals for extended systems S Jana, P Samal Physical Chemistry Chemical Physics 21 (6), 3002-3015, 2019 | 19 | 2019 |
| Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids S Jana, SK Behera, S Śmiga, LA Constantin, P Samal New Journal of Physics 23 (6), 063007, 2021 | 18 | 2021 |
| 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 |
| Correct Structural Phase Stability of FeS2, TiO2, and MnO2 from a Semilocal Density Functional B Patra, S Jana, LA Constantin, P Samal The Journal of Physical Chemistry C 125 (7), 4284-4291, 2021 | 17 | 2021 |
| 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 |
Prasanjit SamalNational Institute of Science Education and Research, INDIAVerified email at niser.ac.in
