Many-Body Benchmark of Electronic Charge and Spin Densities for Li1-xNiO2.

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Bibliographic Details
Title: Many-Body Benchmark of Electronic Charge and Spin Densities for Li1-xNiO2.
Authors: Ghaffar A; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Zhang S; Chemical and Materials Engineering, San Jose State University, San Jose, California 95192, United States., Wan LF; Laboratory for Energy Applications for the Future, Lawrence Livermore National Laboratory, Livermore, California 94550, United States., Saritas K; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Reboredo FA; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, 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] 2026 May 12; Vol. 22 (9), pp. 4346-4357. Date of Electronic Publication: 2026 Apr 20.
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
Description
ISSN:1549-9626
DOI:10.1021/acs.jctc.5c02097