The Resonating-Valence-Bond Ground State of Li Nanoclusters

Abstract

We have performed Diffusion Quantum Monte Carlo simulations of Li clusters showing that Resonating-Valence-Bond (RVB) pairing correlations between electrons provide a substantial contribution to the cohesive energy. The RVB effects are identified in terms of electron transfers from s- to p-like character, constituting a possible explanation for the breakdown of the Fermi liquid picture observed in recent high resolution Compton scattering experiments for bulk Li.

arXiv comment4 pages, 2 figures, 3 tables

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Cited by in corpus (7)

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• TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo
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• Fixed-Node Diffusion Monte Carlo of Lithium Systems
• High-temperature cuprate superconductors studied by x-ray Compton scattering and positron annihilation spectroscopies
• Comparison of Smooth Hartree-Fock Pseudopotentials
• Natural orbital functional theory and pairing correlation effects in electron momentum density