Improving approximate determination of the noninteracting electronic kinetic energy density from electron density-Reference-Cited by-同舟云学术

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Improving approximate determination of the noninteracting electronic kinetic energy density from electron density

Published:2015-06-16 Issue:3 Volume:116 Page:237-246
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Astakhov Andrey A.¹,Stash Adam I.¹²,Tsirelson Vladimir G.¹

Affiliation:

1. Department of Quantum Chemistry; D.I. Mendeleev University of Chemical Technology; Miusskaya Square, 9 Moscow 125047 Russia Federation

2. Laboratory of oxide materials; L.Ya. Karpov Research Institute of Physical Chemistry; Vorontsovo pole 10 Moscow 103064 Russian Federation

Funder

Russian Foundation for Basic Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24957/fullpdf

Reference129 articles.

1. The Physical Nature of the Chemical Bond

2. The kinetic energy of molecular charge distributions and molecular stability

3. Paradoxical Role of the Kinetic‐Energy Operator in the Formation of the Covalent Bond

4. Virial Field Relationship for Molecular Charge Distributions and the Spatial Partitioning of Molecular Properties

5. The Physical Mechanism of the Chemical Bond

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