Literature DB >> 9900421

Exact properties of the Pauli potential for the square root of the electron density and the kinetic energy functional.

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Abstract

Year:  1988        PMID： 9900421     DOI： 10.1103/physreva.38.625

Source DB:  PubMed          Journal:  Phys Rev A Gen Phys        ISSN： 0556-2791


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  4 in total

1.  Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory.

Authors:  Ying Huang; Chunying Rong; Ruiqin Zhang; Shubin Liu
Journal:  J Mol Model       Date:  2016-12-08       Impact factor: 1.810

2.  Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase.

Authors:  Shubin Liu; Hao Hu; Lee G Pedersen
Journal:  J Phys Chem A       Date:  2010-05-13       Impact factor: 2.781

3.  Random Structure Searching with Orbital-Free Density Functional Theory.

Authors:  William C Witt; Benjamin W B Shires; Chuin Wei Tan; Wojciech J Jankowski; Chris J Pickard
Journal:  J Phys Chem A       Date:  2021-02-15       Impact factor: 2.781

4.  Equilibrium Bond Lengths from Orbital-Free Density Functional Theory.

Authors:  Kati Finzel
Journal:  Molecules       Date:  2020-04-13       Impact factor: 4.411
  4 in total

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