期刊
PHYSICAL REVIEW B
卷 62, 期 12, 页码 8120-8125出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.62.8120
关键词
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We present ground- and excited-state energies obtained from diffusion Monte Carlo (DMC) calculations, using accurate multiconfiguration wave functions, for N electrons (N less than or equal to 13) confined to a circular quantum dot. We compare the density and correlation energies to the predictions of local spin density approximation (LSDA) theory, and analyze the electron-electron pair-correlation functions. The DMC estimated change in electrochemical potential as a function of the number of electrons in the dot is compared to that from LSDA and HF calculations. Hund's first rule is found to be satisfied for all dots except N = 4 for which there is a near degeneracy.
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