Open AccessFixed-node diffusion Monte Carlo description of nitrogen defects in zinc oxide
Author(s) -
Jaehyung Yu,
Lucas K. Wagner,
Elif Ertekin
Publication year - 2017
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.95.075209
Subject(s) - hybrid functional , density functional theory , extrapolation , acceptor , materials science , diffusion monte carlo , monte carlo method , band gap , quantum monte carlo , charge (physics) , charge density , atomic physics , physics , condensed matter physics , hybrid monte carlo , quantum mechanics , mathematics , statistics , mathematical analysis , markov chain monte carlo