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Title: Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, USA
  2. Department of Chemistry–BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden, Uppsala Center for Computational Chemistry, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden
Publication Date:
Grant/Contract Number:
SC0016004
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 150 Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1505880

Li, Chenyang, Lindh, Roland, and Evangelista, Francesco A. Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods. United States: N. p., Web. doi:10.1063/1.5088120.
Li, Chenyang, Lindh, Roland, & Evangelista, Francesco A. Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods. United States. doi:10.1063/1.5088120.
Li, Chenyang, Lindh, Roland, and Evangelista, Francesco A. 2019. "Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods". United States. doi:10.1063/1.5088120.
@article{osti_1505880,
title = {Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods},
author = {Li, Chenyang and Lindh, Roland and Evangelista, Francesco A.},
abstractNote = {},
doi = {10.1063/1.5088120},
journal = {Journal of Chemical Physics},
number = 14,
volume = 150,
place = {United States},
year = {2019},
month = {4}
}

Works referenced in this record:

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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Self?consistent molecular orbital methods. XXIII. A polarization?type basis set for second?row elements
journal, October 1982
  • Francl, Michelle M.; Pietro, William J.; Hehre, Warren J.
  • The Journal of Chemical Physics, Vol. 77, Issue 7, p. 3654-3665
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