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Title: Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory

Authors:
 [1] ;  [1]
  1. Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208, USA
Publication Date:
OSTI Identifier:
1228521
Grant/Contract Number:
FG02-13ER16398
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 5; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English