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.

4 pages, 2 figures, 3 tables

References in corpus (7)

• Inhomogeneous backflow transformations in quantum Monte Carlo calculations
• Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods
• Stable liquid Hydrogen at high pressure by a novel ab-initio molecular dynamics
• Structure of fermion nodes and nodal cells
• Magnetism and superconductivity in the $t-t^{\prime }-J$ model
• Anomalous electronic correlations in ground state momentum density of Al${}_{97}$Li${}_3$
• Decorrelation of samples in Quantum Monte Carlo calculations and scaling of autocorrelation time in Li and H${}_2$O clusters

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