2 papers
cond-mat.mtrl-sci2023
Simple and accurate screening parameters for dielectric-dependent hybrids
Subrata Jana, Arghya Ghosh, Lucian A. Constantin +1
A simple effective screening parameter for screened range-separated hybrid is constructed from the compressibility sum rule in the context of linear-response time-dependent Density…
cond-mat.mtrl-sci2021
Correct and accurate polymorphic energy ordering of transition-metal monoxides obtained from semilocal and onsite-hybrid exchange-correlation approximations
Arghya Ghosh, Subrata Jana, Manish K Niranjan +5
The relative energetic stability of the structural phases of common antiferromagnetic transition-metal oxides (MnO, FeO, CoO, and NiO) within the semilocal and hybrid density funct…