Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories-Reference-Cited by-同舟云学术

Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

Published:2009-01-26 Issue:7 Volume:113 Page:1384-1389
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bulat Felipe A.¹,Levy Mel¹,Politzer Peter¹

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina 27708, Department of Chemistry, Tulane University, New Orleans, Louisiana 78118, Department of Chemistry, University of New Orleans, New Orleans, Louisiana 70148, and Department of Chemistry, Cleveland State University, Cleveland, Ohio 44115

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp809406p

Reference41 articles.

1. Density functional approach to the frontier-electron theory of chemical reactivity

2. Electron density, Kohn–Sham frontier orbitals, and Fukui functions

3. Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"

4. New Dual Descriptor for Chemical Reactivity

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