58 citations · 316 across the 50 of their papers we have counts for
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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…
Efficient lattice constants and energy band gaps for condensed systems from a meta-GGA level screened range separated hybrid functional
Subrata Jana, Abhilash Patra, Prasanjit Samal
A meta generalized gradient level screened range-separated hybrid functional is developed for solid-state electronic structure theory. Assessment of the present range-separated hyb…
Performance of Tao-Mo semilocal density functional in projector-augmented-wave method
Subrata Jana, Abhilash Patra, Prasanjit Samal
We assess the performance of Tao-Mo semilocal exchange correlation (TM) functional [J. Tao and Y. Mo, Phys. Rev. Lett. 117, 073001 (2016)] using projector-augmented-wave method wit…