Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo.

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Title: Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo.
Authors: Lopez A; Department of Physics, Brown University, Providence, Rhode Island 02912, United States., Melton CA; High Energy Density Physics Theory, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States., Ahn J; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Rubenstein BM; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States., Krogel JT; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2025 Aug 12; Vol. 21 (15), pp. 7485-7494. Date of Electronic Publication: 2025 Jul 21.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Lopez+A%22">Lopez A</searchLink>; Department of Physics, Brown University, Providence, Rhode Island 02912, United States.<br /><searchLink fieldCode="AU" term="%22Melton+CA%22">Melton CA</searchLink>; High Energy Density Physics Theory, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States.<br /><searchLink fieldCode="AU" term="%22Ahn+J%22">Ahn J</searchLink>; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.<br /><searchLink fieldCode="AU" term="%22Rubenstein+BM%22">Rubenstein BM</searchLink>; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.<br /><searchLink fieldCode="AU" term="%22Krogel+JT%22">Krogel JT</searchLink>; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1021/acs.jctc.5c00838
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        Text: English
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              Text: 2025 Aug 12
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