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Supplementary Material for: Stabilization Mechanisms in the Li3+ Cluster: A Quantum Monte Carlo Study of Electron Delocalization and Correlation by B. G. A. Brito, L. Candido, and G.-Q. Hai
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https://doi.org/10.60893/figshare.jcp.30446291
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posted on 2025-11-12, 13:04
authored by
Braulio Brito
,
Ladir Candido
,
G. Hai
Supplemental Material: Additional computational details, spin expectation values, trial-node sensitivity tests, reference energies, and supporting figures and tables for Li3+
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Stabilization Mechanisms in the Li<sub>3</sub><sup>+</sup> Cluster: A Quantum Monte Carlo Study of Electron Delocalization and Correlation
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Categories
Physical sciences
Keywords
Spin contamination
Trial wavefunctions
Voronoi populations
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CC BY 4.0
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