Literature DB >> 9906704

Construction and application of an accurate local spin-polarized Kohn-Sham potential with integer discontinuity: Exchange-only theory.

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Abstract

Year:  1992        PMID： 9906704     DOI： 10.1103/physreva.45.101

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


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  12 in total

Review 1.  Average local ionization energy: A review.

Authors:  Peter Politzer; Jane S Murray; Felipe A Bulat
Journal:  J Mol Model       Date:  2010-04-22       Impact factor: 1.810

2.  Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization.

Authors:  Benjamin G Janesko; Aliaksandr V Krukau; Gustavo E Scuseria
Journal:  J Chem Phys       Date:  2008-09-28       Impact factor: 3.488

3.  Numerically Precise Benchmark of Many-Body Self-Energies on Spherical Atoms.

Authors:  S Vacondio; D Varsano; A Ruini; A Ferretti
Journal:  J Chem Theory Comput       Date:  2022-05-13       Impact factor: 6.578

4.  Screened hybrid density functionals for solid-state chemistry and physics.

Authors:  Benjamin G Janesko; Thomas M Henderson; Gustavo E Scuseria
Journal:  Phys Chem Chem Phys       Date:  2008-11-05       Impact factor: 3.676

5.  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

Review 6.  Range separation and local hybridization in density functional theory.

Authors:  Thomas M Henderson; Benjamin G Janesko; Gustavo E Scuseria
Journal:  J Phys Chem A       Date:  2008-12-11       Impact factor: 2.781

7.  Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals.

Authors:  Abhilash Patra; Subrata Jana; Prasanjit Samal; Fabien Tran; Leila Kalantari; Jan Doumont; Peter Blaha
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2021-05-13       Impact factor: 4.126

8.  How close are the Slater and Becke-Roussel potentials in solids?

Authors:  Fabien Tran; Peter Blaha; Karlheinz Schwarz
Journal:  J Chem Theory Comput       Date:  2015-10-13       Impact factor: 6.006

9.  Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation.

Authors:  Nikitas I Gidopoulos; E K U Gross
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2014-02-10       Impact factor: 4.226

10.  Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional.

Authors:  David A Egger; Shira Weissman; Sivan Refaely-Abramson; Sahar Sharifzadeh; Matthias Dauth; Roi Baer; Stephan Kümmel; Jeffrey B Neaton; Egbert Zojer; Leeor Kronik
Journal:  J Chem Theory Comput       Date:  2014-03-25       Impact factor: 6.006
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