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-like 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.
Keywords
diffusion quantum Monte Carlo simulations, Li clusters, resonant valence bond, RVB, Compton scattering, nanoclusters
Subject Categories
Electrons, Monte Carlo method
Disciplines
Physics
Publisher
American Physical Society
Publication Date
1-23-2009
Rights Information
Copyright 2009 American Physical Society.
Rights Holder
American Physical Society
Recommended Citation
Nissenbaum, D.; Spanu, L.; Attaccalite, C.; Barbiellini, B.; and Bansil, A., "Resonating-valence-bond ground state of lithium nanoclusters" (2009). Physics Faculty Publications. Paper 423.
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Notes
Originally published in Physical Review B v.79 (2009): 035416. DOI: 10.1103/PhysRevB.79.035416