Literature DB >> 9911123

From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies.

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Abstract

Entities:  

Year:  1994        PMID： 9911123     DOI： 10.1103/physreva.50.2138

Source DB:  PubMed          Journal:  Phys Rev A        ISSN： 1050-2947            Impact factor:   3.140


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  6 in total

1.  Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory.

Authors:  Ye Jin; Neil Qiang Su; Zehua Chen; Weitao Yang
Journal:  Faraday Discuss       Date:  2020-12-04       Impact factor: 4.008

2.  Multireference Density Functional Theory for Describing Ground and Excited States with Renormalized Singles.

Authors:  Jiachen Li; Zehua Chen; Weitao Yang
Journal:  J Phys Chem Lett       Date:  2022-01-20       Impact factor: 6.888

3.  Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules.

Authors:  Michael Filatov
Journal:  J Chem Theory Comput       Date:  2013-09-06       Impact factor: 6.006

Review 4.  Quantum crystallography.

Authors:  Simon Grabowsky; Alessandro Genoni; Hans-Beat Bürgi
Journal:  Chem Sci       Date:  2017-03-27       Impact factor: 9.825

5.  Density functionals of chemical bonding.

Authors:  Mihai V Putz
Journal:  Int J Mol Sci       Date:  2008-06-26       Impact factor: 6.208

6.  Exact exchange-correlation potentials from ground-state electron densities.

Authors:  Bikash Kanungo; Paul M Zimmerman; Vikram Gavini
Journal:  Nat Commun       Date:  2019-10-03       Impact factor: 14.919
  6 in total

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