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Title: Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory

Authors:
 [1] ;  [2] ;  [3] ;  [1]
  1. Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel
  2. Department of Chemistry, University of California and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, The Raymond and Beverly Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978, Israel
  3. Department of Chemistry, University of California, Los Angeles, California 90095, USA
Publication Date:
Grant/Contract Number:
AC02-05CH11232
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 146 Journal Issue: 22; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1363830