Literature DB >> 9976730

Electronic-structure calculations and molecular-dynamics simulations with linear system-size scaling.

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Abstract

Year:  1994        PMID： 9976730     DOI： 10.1103/physrevb.50.4316

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  1 in total

1.  Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS.

Authors:  Zhaolong Luo; Xinming Qin; Lingyun Wan; Wei Hu; Jinlong Yang
Journal:  Front Chem       Date:  2020-11-26       Impact factor: 5.221
  1 in total

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