Journal
PHYSICAL REVIEW B
Volume 79, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.035416
Keywords
binding energy; Compton effect; diffusion; Fermi liquid; ground states; lithium; metal clusters; Monte Carlo methods; nanostructured materials; VB calculations
Funding
- U. S. Department of Energy [DE-FG02-07ER46352, DE-FC02-06ER25794]
- NERSC and the Northeastern University's Advanced Scientific Computation Center (NU-ASCC)
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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.
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