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Title: Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

Abstract

Not provided.

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Publication Date:
Research Org.:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539136
DOE Contract Number:  
SC0008688
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 14; Journal Issue: 4; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Pham, Hung Q., Bernales, Varinia, and Gagliardi, Laura. Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?. United States: N. p., 2018. Web. doi:10.1021/acs.jctc.7b01248.
Pham, Hung Q., Bernales, Varinia, & Gagliardi, Laura. Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?. United States. doi:10.1021/acs.jctc.7b01248.
Pham, Hung Q., Bernales, Varinia, and Gagliardi, Laura. Mon . "Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?". United States. doi:10.1021/acs.jctc.7b01248.
@article{osti_1539136,
title = {Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?},
author = {Pham, Hung Q. and Bernales, Varinia and Gagliardi, Laura},
abstractNote = {Not provided.},
doi = {10.1021/acs.jctc.7b01248},
journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 4,
volume = 14,
place = {United States},
year = {2018},
month = {2}
}