Kinetic energy decomposition scheme based on information theory-Reference-Cited by-同舟云学术

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Kinetic energy decomposition scheme based on information theory

Published:2013-10-16 Issue:32 Volume:34 Page:2787-2795
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Imamura Yutaka¹,Suzuki Jun²,Nakai Hiromi¹²³⁴

Affiliation:

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

2. Department of Chemistry and Biochemistry School of Advanced Science and Engineering; Waseda University; Tokyo 169-8555 Japan

3. CREST; Japan Science and Technology Agency; Tokyo 102-0075 Japan

4. ESICB; Kyoto University; Kyoto 615-8520 Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference59 articles.

1. Energy density analysis with Kohn–Sham orbitals

2. A hybrid approach combining energy density analysis with the interaction energy decomposition method

3. EXTENSION OF ENERGY DENSITY ANALYSIS TO TREATING CHEMICAL BONDS IN MOLECULES

4. Hybrid approach for ab initio molecular dynamics simulation combining energy density analysis and short-time Fourier transform: Energy transfer spectrogram

5. Extension of energy density analysis to periodic boundary condition calculation: Evaluation of locality in extended systems

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