Open AccessRelative energies and electronic structures of CoO polymorphs through ab initio diffusion quantum Monte Carlo
Author(s) -
Kayahan Saritas,
Jaron T. Krogel,
Fernando A. Reboredo
Publication year - 2018
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.98.155130
Subject(s) - quantum monte carlo , density functional theory , excited state , ab initio , quasiparticle , materials science , band gap , direct and indirect band gaps , wurtzite crystal structure , ground state , electronic structure , ab initio quantum chemistry methods , monte carlo method , condensed matter physics , physics , atomic physics , molecule , zinc , quantum mechanics , statistics , mathematics , superconductivity , metallurgy
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