Literature DB >> 9983927

Generalized Kohn-Sham schemes and the band-gap problem.

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Abstract

Year:  1996        PMID： 9983927     DOI： 10.1103/physrevb.53.3764

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  33 in total

1.  Molecular modeling of 4-methylphthalonitrile for dye sensitized solar cells using quantum chemical calculations.

Authors:  Palanivel Senthilkumar; Ponnusamy Munusamy Anbarasan
Journal:  J Mol Model       Date:  2010-04-02       Impact factor: 1.810

2.  Understanding band gaps of solids in generalized Kohn-Sham theory.

Authors:  John P Perdew; Weitao Yang; Kieron Burke; Zenghui Yang; Eberhard K U Gross; Matthias Scheffler; Gustavo E Scuseria; Thomas M Henderson; Igor Ying Zhang; Adrienn Ruzsinszky; Haowei Peng; Jianwei Sun; Egor Trushin; Andreas Görling
Journal:  Proc Natl Acad Sci U S A       Date:  2017-03-06       Impact factor: 11.205

3.  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

4.  Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional.

Authors:  Narbe Mardirossian; Martin Head-Gordon
Journal:  J Chem Phys       Date:  2018-06-28       Impact factor: 3.488

5.  Revised M06 density functional for main-group and transition-metal chemistry.

Authors:  Ying Wang; Pragya Verma; Xinsheng Jin; Donald G Truhlar; Xiao He
Journal:  Proc Natl Acad Sci U S A       Date:  2018-09-20       Impact factor: 11.205

6.  Describing strong correlation with fractional-spin correction in density functional theory.

Authors:  Neil Qiang Su; Chen Li; Weitao Yang
Journal:  Proc Natl Acad Sci U S A       Date:  2018-09-10       Impact factor: 11.205

7.  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

8.  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 9.  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

10.  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
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