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Title: Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals

Authors:
; ;
Publication Date:
OSTI Identifier:
1228787
Grant/Contract Number:
SC0012575
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 22; Related Information: CHORUS Timestamp: 2016-12-28 22:14:53; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English