58 citations · 316 across the 50 of their papers we have counts for
8 papers · 2 filters
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…
Employing semilocal exchange hole with an application to meta-GGA level screened range separated hybrid functional: A conventional wisdom method
Subrata Jana, Prasanjit Samal
Range separated hybrid density functionals are very successful in describing a wide range of molecular and solid state properties accurately. Range separated hybrid functionals are…
Density matrix expansion based semi-local exchange hole applied to range separated density functional theory
Bikash Patra, Subrata Jana, Prasanjit Samal
Exchange hole is the principle constituent in density functional theory, which can be used to accurately design exchange energy functional and range separated hybrid functionals co…
Performance of Range Separated Hybrids: Study within BECKE88 family and Semilocal Exchange Hole based Range Separated Hybrid
Subrata Jana, Bikash Patra, Hemanadhan Myneni +1
A long range corrected range separated hybrid functional is developed based on the density matrix expansion (DME) based semilocal exchange hole with Lee-Yang-Parr (LYP) correlation…
Assessing The Band Gap Problem By Improving Upon The Semilocal Exchange Hole Potential
Subrata Jana, Hemanadhan Myneni, Prasanjit Samal
An asymptotic corrected exchange hole potential analogous to Becke-Roussel [A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989)] is constructed by modeling the exchange hol…
Semilocal Exchange Functionals With Improved Performances: The Modified Enhancement Factor For Two Dimensional Quantum Systems
Subrata Jana, Prasanjit samal
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. B…
Role of Kohn-Sham Kinetic Energy Density in Designing Asymptotically Correct Semilocal Exchange-Correlation Functionals in Two Dimensions
Subrata Jana, Prasanjit Samal
The positive definite Kohn-Sham kinetic energy(KS-KE) density plays crucial role in designing semilocal meta generalized gradient approximations(meta-GGAs) for low dimensional quan…
Semi-local Exchange Energy Functional For Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
Subrata Jana, Prasanjit Samal
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. T…