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Kinetic energy decomposition scheme based on information theory

Yutaka Imamura1, Jun Suzuki, Hiromi Nakai

  • 1Research Institute for Science and Engineering, Waseda University, Tokyo, 169-8555, Japan.

Journal of Computational Chemistry
|October 18, 2013
PubMed

Keywords:
Hirshfeld partitioning • Weizäcker partitioning • kinetic energy density • virial ratioenergy decomposition • Kullback-Leibler information deficiency

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