Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments-Reference-Cited by-同舟云学术

Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments

Published:2021-04-15 Issue:5 Volume:17 Page:2737-2751
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chi Yu-Chieh¹,Shaban Tameh Maliheh²,Huang Chen³^ORCID

Affiliation:

1. Department of Scientific Computing, Florida State University, Tallahassee, Florida 32306, United States

2. Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, United States

3. Department of Scientific Computing, Materials Science and Engineering Program, National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01133

Reference97 articles.

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