Journal
PHYSICAL REVIEW B
Volume 68, Issue 16, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.68.165103
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We report a variational and diffusion quantum Monte Carlo study of sodium. Pseudopotentials are used to represent the ion cores, and core-valence correlation effects are included by using a core polarization potential. When the core polarization potential is included we obtain an excellent value for the first ionization energy of the atom and a good value for the cohesive energy of the solid. Variational calculations of the occupied bandwidth give larger values than experiment, in agreement with recent sophisticated many-body calculations. Including the core polarization potential narrows the bandwidth slightly.
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