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Title: Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method

Publication Date:
OSTI Identifier:
1228571
Grant/Contract Number:
AC02-07CH11358
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 12; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English