Correlation Effects in the Compton Profile of Silicon

Journal Article · Fri May 01 00:00:00 EDT 1998 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.80.4253· OSTI ID:603145

Kralik, B; Delaney, P; Louie, S G ^[1]

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1. Department of Physics, University of California at Berkeley, Berkeley, California 94720 (United States)

{ital Ab initio} nonlocal pseudopotential variational quantum Monte Carlo techniques are used to compute the correlation effects on the valence momentum density and Compton profile of silicon. Our results for this case are in excellent agreement with the Lam-Platzman correction computed within the local density approximation. Within the approximations used, we rule out valence electron correlations as the dominant source of discrepancies between calculated and measured Compton profiles of silicon. {copyright} {ital 1998} {ital The American Physical Society}

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 603145
• Journal Information: Physical Review Letters, Vol. 80, Issue 19; Other Information: PBD: May 1998
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
LAWRENCE LIVERMORE NATIONAL LABORATORY
SILICON
COMPTON EFFECT
MONTE CARLO METHOD
CORRELATIONS
ELECTRONIC STRUCTURE
VARIATIONAL METHODS