QMC and DFT of 1T-VSe<sub>2</sub><sub>2</sub>
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Associated data for the manuscript, "A combined Quantum Monte Carlo and DFT study of the strain response and magnetic properties of two-dimensional (2D) 1T-VSe<sub>2</sub> with charge density wave states" by Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla, Tehseen Adel, Frank M Abel, Sharadh Jois, Kayahan Saritas, Jaron T Krogel, Li Yin, Tom Berlijn, Aubrey T Hanbicki, Gregory M Stephen, Adam L Friedman, Sergiy Krylyuk, Albert Davydov, Brian Donovan, Michelle E Jamer, Angela R Hight Walker, Kamal Choudhary, Francesca Tavazza, Can Ataca.<br>https://doi.org/10.48550/arXiv.2409.19082<br>Data includes raw DFT calculations, geometries, and Nexus workflow scripts for QMCPACK<br>For additional inquiries: daniel.wines@nist.gov, ataca@umbc.edu
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Wines, Daniel创建时间：
2025-01-02
