List of works - Subrata Jana

A way of resolving the order-of-limit problem of Tao-Mo semilocal functional

scientific article published on 01 November 2020

Accurate Water Properties from an Efficient ab Initio Method

scientific article published on 22 January 2020

Accurate density functional made more versatile

scientific article published on 14 July 2021

Benchmark test of a dispersion corrected revised Tao–Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids

scientific article published on 21 September 2021

Correct Structural Phase Stability of FeS2, TiO2, and MnO2 from a Semilocal Density Functional

scientific article

Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations

scientific article published in 2022

Efficient and improved prediction of the band offsets at semiconductorheterojunctions from meta-GGA density functionals: a benchmark study

scientific article published in 2022

Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions

scientific article published on 01 August 2020

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms

scientific article published on 18 November 2020

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response

scientific article

Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems

scientific article published on 01 April 2020

Improving the Performance of Tao-Mo Non-empirical Density Functional with Broader Applicability in Quantum Chemistry and Materials Science

scientific article published on 10 July 2019

Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids

scientific article published in June 2021

Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs

scientific article published on 01 December 2020

Performance of Tao-Mo Semilocal Functional with rVV10 Dispersion-Correction: Influence of Different Correlation

scientific article published on 27 November 2019

Screened hybrid meta-GGA exchange-correlation functionals for extended systems

scientific article published on 01 February 2019

Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response

scientific article published on 01 January 2020

List of works by Subrata Jana