Literature DB >> 9978860

Linear system-size scaling methods for electronic-structure calculations.

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Abstract

Year:  1995        PMID： 9978860     DOI： 10.1103/physrevb.51.1456

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


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  5 in total

1.  Linear-scaling quantum calculations using non-orthogonal localized molecular orbitals.

Authors:  Steven K Burger; Weitao Yang
Journal:  J Phys Condens Matter       Date:  2008-07-23       Impact factor: 2.333

2.  Equivalent potential of water for the electronic structure of glycine.

Authors:  Min Peng; Haoping Zheng
Journal:  J Mol Model       Date:  2010-04-10       Impact factor: 1.810

3.  Ab initio simulation of the effect of the potential of water on the electronic structure of arginine.

Authors:  Xingrong Wang; Haoping Zheng
Journal:  J Mol Model       Date:  2011-05-28       Impact factor: 1.810

4.  New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational algorithms and parallelization.

Authors:  Thomas A Manz; Taoyi Chen
Journal:  RSC Adv       Date:  2019-10-17       Impact factor: 4.036

5.  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
  5 in total

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