1 citations · 1 across the 7 of their papers we have counts for
13 papers
Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids
Subrata Jana, Sushant Kumar Behera, Szymon Smiga +2
The Pauli kinetic energy enhancement factor is an important density ingredient, used to construct many meta-generalized gradient approximations (meta-GGA) exch…
A way of resolving the order-of-limit problem of Tao-Mo semilocal functional
Abhilash Patra, Subrata Jana, Prasanjit Samal
It is highlighted recently that the Tao-Mo (TM) [Phys. Rev. Lett. 117, 073001 (2016)] semilocal exchange-correlation energy functional suffers from the order-of-limit problem, whic…
Efficient yet Accurate Dispersion-Corrected Semilocal Exchange-Correlation Functionals For Non-Covalent Interactions
Abhilash Patra, Subrata Jana, Lucian A. Constantin +1
Due to several attractive features, the meta-generalized-gradient approximations (meta-GGAs) are considered to be the most advanced and potentially accurate semilocal exchange-corr…
Accurate water properties from an efficient ab-initio method
Subrata Jana, Lucian A. Constantin, Prasanjit Samal
Accurate prediction of the water properties from a low-cost ab-initio method still a foremost problem for chemists and physicist. Though density functional approaches starting from…
Improving the performance of Tao-Mo non-empirical density functional with broader applicability in quantum chemistry and material sciences
Subrata Jana, Kedar Sharma, Prasanjit Samal
A revised version of the semilocal exchange-correlation functional [Phys. Rev. Lett. 117, 073001 (2016)] (TM) is proposed by incorporating the modifications to its correlation cont…
Assessing the performance of the recent non-empirical semilocal density functionals on describing the lattice constants, bulk moduli and cohesive energies of alkali, alkaline-earth, and transition metals
Subrata Jana, Kedar Sharma, Prasanjit Samal
The bulk properties (lattice constants, bulk moduli, and cohesive energies) of alkali, alkaline-earth, and transition metals are studied within the framework of the recently develo…