Abhishek Raghav

activity

20202026

most citedIntrinsic Electronic Defect States of Anatase using Density Functional Theory

28 citations · 100 across the 7 of their papers we have counts for

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2 papers · 1 filter

physics.chem-ph2022★ 12 cited

Towards chemical accuracy using the Jastrow correlated antisymmetrized geminal power ansatz

Abhishek Raghav, Ryo Maezono, Kenta Hongo +2

Herein, we report accurate atomization energy calculations for 55 molecules in the Gaussian-2 (G2) set using lattice regularized diffusion Monte Carlo (LRDMC). We compare the Jastr…

cond-mat.mtrl-sci2022★ 26 cited

Electronic structure and effective mass analysis of doped TiO $_{2}$ (anatase) systems using DFT+ $U$

Abhishek Raghav, Kenta Hongo, Ryo Maezono +1

In this work, electronic structure of several doped TiO $_{2}$ anatase systems is computed using DFT+ $U$ . Effective masses of charge carriers are also computed to quantify how the dop…

Towards chemical accuracy using the Jastrow correlated antisymmetrized geminal power ansatz

Electronic structure and effective mass analysis of doped TiO2​ (anatase) systems using DFT+U

Electronic structure and effective mass analysis of doped TiO $_{2}$ (anatase) systems using DFT+ $U$