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• W2013709258 abstract "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." @default.
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• W2013709258 date "2003-10-14" @default.
• W2013709258 modified "2023-10-14" @default.
• W2013709258 title "Quantum Monte Carlo study of sodium" @default.
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• W2013709258 doi "https://doi.org/10.1103/physrevb.68.165103" @default.
• W2013709258 hasPublicationYear "2003" @default.
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