Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation-Reference-Cited by-同舟云学术

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Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation

Published:2018-11-19 Issue:1 Volume:15 Page:190-200
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mniszewski Susan M.¹^ORCID,Perriot Romain²,Rubensson Emanuel H.³^ORCID,Negre Christian F. A.²,Cawkwell Marc J.²^ORCID,Niklasson Anders M. N.²

Affiliation:

1. Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

3. Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala, Sweden

Funder

Los Alamos National Laboratory

Basic Energy Sciences

Laboratory Directed Research and Development

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00887

Reference56 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Density Functional Theory

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