Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide

Yu, Jaehyung; Wagner, Lucas K.; Ertekin, Elif

doi:10.1063/1.4937421

Title: Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide

Journal Article · Mon Dec 14 00:00:00 EST 2015 · The Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4937421· OSTI ID:1229794

Yu, Jaehyung ^[1];

^[2]; Ertekin, Elif ^[3]

Department of Mechanical Science and Engineering, 1206 W Green Street, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Department of Mechanical Science and Engineering, 1206 W Green Street, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA, International Institute for Carbon Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Moto-oka, Nishi-ku, Fukuoka 819-0395, Japan

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-12ER46875

OSTI ID:: 1229794

Journal Information:: The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 143 Journal Issue: 22; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 30 works

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References (32)

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Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide Yu, Jaehyung; Wagner, Lucas K.; Ertekin, Elif The Journal of Chemical Physics, Vol. 143, Issue 22 https://doi.org/10.1063/1.4937421	journal	December 2015
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