Resonating-valence-bond ground state of lithium nanoclusters

D. Nissenbaum, L. Spanu, C. Attaccalite, B. Barbiellini, and A. Bansil

Phys. Rev. B 79, 035416 – Published 23 January 2009

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.

Received 3 October 2008

DOI:https://doi.org/10.1103/PhysRevB.79.035416

Authors & Affiliations

D. Nissenbaum¹, L. Spanu^2,3, C. Attaccalite⁴, B. Barbiellini¹, and A. Bansil¹

¹Department of Physics, Northeastern University, Boston, Massachusetts 02115, USA
²INFM-Democritos, National Simulation Center and International School for Advanced Studies (SISSA), I-34014 Trieste, Italy
³Department of Chemistry, University of California at Davis, One Shield Avenue Davis, California 95616, USA
⁴Universidad del Pais Vasco, Unidad de Fisica de Materiales, San Sebastian, Spain E-20018

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Issue

Vol. 79, Iss. 3 — 15 January 2009

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