Literature DB >> 9986376

Towards a potential-based conjugate gradient algorithm for order-N self-consistent total energy calculations.

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Abstract

Year:  1996        PMID： 9986376     DOI： 10.1103/physrevb.54.4383

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


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  1 in total

1.  Constrained Density Functional Theory: A Potential-Based Self-Consistency Approach.

Authors:  Xavier Gonze; Benjamin Seddon; James A Elliott; Christian Tantardini; Alexander V Shapeev
Journal:  J Chem Theory Comput       Date:  2022-09-13       Impact factor: 6.578
  1 in total

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