Kohn−Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Author:
Affiliation:
1. Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala, Sweden, and PS Consulting, ul. Zaporoska 8/4, 30-389 Kraków, Poland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100611z
Reference57 articles.
1. Linear scaling electronic structure methods
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