Resonating-valence-bond ground state of lithium nanoclusters

D. Nissenbaum, Northeastern University
L. Spanu, National Simulation Center and International School for Advanced Studies, Italy
C. Attaccalite, Universidad del Pais Vasco
B. Barbiellini, Northeastern University
A. Bansil, Northeastern University

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Originally published in Physical Review B v.79 (2009): 035416. DOI: 10.1103/PhysRevB.79.035416

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.