Golokesh Santra

Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

Golokesh Santra, Nitai Sylvetsky, Jan M. L. Martin · The Journal of Physical Chemistry A · 2019 · 479 citations · Full text

Natural Sciences, Chemistry, Physics +10

Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT

Jan M. L. Martin, Golokesh Santra · Israel Journal of Chemistry · 2019 · 218 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees

Minsik Cho, Nitai Sylvetsky, Sarah Eshafi et al. · ChemPhysChem · 2020 · 107 citations · Full text

Natural Sciences, Chemistry, Physics +9

What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite

Golokesh Santra, Jan M. L. Martin · Journal of Chemical Theory and Computation · 2021 · 78 citations · Full text

Natural Sciences, Chemistry, Physics +17

Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with <i>x</i>DSD as a Special Case

Golokesh Santra, Minsik Cho, Jan M. L. Martin · The Journal of Physical Chemistry A · 2021 · 62 citations · Full text

Natural Sciences, Chemistry, Physics +10