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Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification.

Authors :
Greene, Samuel M.
Webber, Robert J.
Smith, James E. T.
Weare, Jonathan
Berkelbach, Timothy C.
Source :
Journal of Chemical Theory & Computation; 12/13/2022, Vol. 18 Issue 12, p7218-7232, 15p
Publication Year :
2022

Details

Language :
English
ISSN :
15499618
Volume :
18
Issue :
12
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
160822191
Full Text :
https://doi.org/10.1021/acs.jctc.2c00435