☆ 4.7 Article

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

COMPUTER PHYSICS COMMUNICATIONS (2010)

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Journal

COMPUTER PHYSICS COMMUNICATIONS
Volume 181, Issue 12, Pages 2208-2209

Publisher

ELSEVIER
DOI: 10.1016/j.cpc.2010.09.001

Keywords

Orbital-free density functional theory; Optimization; Electronic structure

Categories

Computer Science, Interdisciplinary Applications Physics, Mathematical

Funding

  1. Division Of Chemistry
  2. Direct For Mathematical & Physical Scien [0910563] Funding Source: National Science Foundation

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