58 citations · 63 across the 7 of their papers we have counts for
7 papers
Spin-Phonon interaction in quasi 2D- Cr
Gurupada Ghorai, Kalyan Ghosh, Abhilash Patra +3
Spin-phonon interaction plays an important role in 2D magnetic materials and motivates the development of next-generation spin- and charge-dependent microelectronic devices. Unders…
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
Fabien Tran, Jan Doumont, Leila Kalantari +8
The density functional theory (DFT) approximations that are the most accurate for the calculation of band gap of bulk materials are hybrid functionals like HSE06, the MBJ potential…
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…
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…
Inhomogeneity Induced and Appropriately Parameterized Semilocal Exchange and Correlation Energy Functionals in Two-Dimensions
Abhilash Patra, Subrata Jana, Prasanjit Samal
The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate technique to design semilocal exc…