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

Journal Article · · The Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4915068· OSTI ID:1228571
 [1];  [2]
  1. NRI, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan
  2. Department of Chemistry and Ames Laboratory, US-DOE, Iowa State University, Ames, Iowa 50011, USA
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Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1228571
Journal Information:
The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 142 Journal Issue: 12; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

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