Zobrazeno 1 - 10
of 535
pro vyhledávání: '"Jana, Subrata"'
Autor:
Ghosh, Arghya, Jana, Subrata, Rani, Dimple, Hossain, Manoar, Niranjan, Manish K, Samal, Prasanjit
Publikováno v:
Phys. Rev. B 109, 045133 (2024)
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors has been a persistent challenge for density functional theory (DFT) based approaches. Addressing this issue, we demonstrate that very accurate results can be
Externí odkaz:
http://arxiv.org/abs/2401.16805
The adiabatic connection interaction strength interpolation (ISI)-like method provides a high-level expression for the correlation energy, being in principle exact in the weak-interaction limit, where it recovers the second-order G\"orling-Levy pertu
Externí odkaz:
http://arxiv.org/abs/2309.16430
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 Functional Theory. When applied to the dielectric-dependent hybrid (D
Externí odkaz:
http://arxiv.org/abs/2303.05549
Publikováno v:
Journal of Physical Chemistry A (2023)
The incorporation of a strong interaction regime within the approximate, semilocal exchange-correlation functionals still remains a very challenging task for density functional theory. One of the promising attempts in this direction is the recently p
Externí odkaz:
http://arxiv.org/abs/2212.04610
Autor:
Jana Subrata, Giri Bibhas Chandra, Sarkar Anirban, Jana Chiranjibe, Stević Željko, Radovanović Marko
Publikováno v:
ECONOMICS, Vol 12, Iss 1, Pp 1-7 (2024)
By providing important indicators, financial indices help investors make educated judgements regarding their assets, much like vital sign monitors for the financial markets. The best way for investors to keep up with the market and make strategic adj
Externí odkaz:
https://doaj.org/article/104395eb7ff74e86939fd64d8baabffb
Publikováno v:
Journal of Chemical Physics; 6/14/2024, Vol. 160 Issue 22, p1-10, 10p
Autor:
Ghosh, Arghya, Jana, Subrata, Rauch, Tomáš, Tran, Fabien, Marques, Miguel A. L., Botti, Silvana, Constantin, Lucian A., Niranjan, Manish K., Samal, Prasanjit
Accurate theoretical prediction of the band offsets at interfaces of semiconductor heterostructures can often be quite challenging. Although density functional theory has been reasonably successful to carry out such calculations and efficient and acc
Externí odkaz:
http://arxiv.org/abs/2207.13507
Autor:
Ghosh, Arghya, Jana, Subrata, Niranjan, Manish K, Tran, Fabien, Wimberger, David, Blaha, Peter, Constantin, Lucian A., Samal, Prasanjit
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 functionals are fraught with difficulties. In particular, MnO is known to b
Externí odkaz:
http://arxiv.org/abs/2112.09022
Publikováno v:
In Carbohydrate Polymers 15 June 2024 334
Autor:
Bhunia, Sudip, Jana, Subrata, Gomila, Rosa M., G. B. Drew, Michael, Frontera, Antonio, Chattopadhyay, Shouvik
Publikováno v:
In Polyhedron 1 June 2024 255