Literature DB >> 9901696

Exchange holes in inhomogeneous systems: A coordinate-space model.

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Abstract

Year:  1989        PMID： 9901696     DOI： 10.1103/physreva.39.3761

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


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  17 in total

1.  Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation.

Authors:  Emil Proynov; Fenglai Liu; Yihan Shao; Jing Kong
Journal:  J Chem Phys       Date:  2012-01-21       Impact factor: 3.488

2.  Modified Becke'05 method of nondynamic correlation in density functional theory with self-consistent implementation.

Authors:  Emil Proynov; Fenglai Liu; Jing Kong
Journal:  Chem Phys Lett       Date:  2012-01-05       Impact factor: 2.328

3.  Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method.

Authors:  Emil Proynov; Yihan Shao; Jing Kong
Journal:  Chem Phys Lett       Date:  2010-06-25       Impact factor: 2.328

4.  Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment.

Authors:  Emil Proynov; Fenglai Liu; Zhengting Gan; Matthew Wang; Jing Kong
Journal:  J Chem Phys       Date:  2015-08-28       Impact factor: 3.488

5.  Analytical representation of the Becke-Roussel exchange functional.

Authors:  Emil Proynov; Zhenting Gan; Jing Kong
Journal:  Chem Phys Lett       Date:  2008-03-31       Impact factor: 2.328

6.  Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

Authors:  Jianwei Sun; Richard C Remsing; Yubo Zhang; Zhaoru Sun; Adrienn Ruzsinszky; Haowei Peng; Zenghui Yang; Arpita Paul; Umesh Waghmare; Xifan Wu; Michael L Klein; John P Perdew
Journal:  Nat Chem       Date:  2016-06-13       Impact factor: 24.427

7.  FeP(Im)-AB Bonding Energies Evaluated with A Large Number of Density Functionals (P = porphine, Im = imidazole, AB = CO, NO, and O(2)).

Authors:  Meng-Sheng Liao; Ming-Ju Huang; John D Watts
Journal:  Mol Phys       Date:  2011-08-20       Impact factor: 1.962

8.  Evaluating dispersion forces for optimization of van der Waals complexes using a non-empirical functional.

Authors:  Alya A Arabi
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2016-11-13       Impact factor: 4.226

9.  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

10.  Electronic structure and bandgap of γ-Al2O3 compound using mBJ exchange potential.

Authors:  Mohsen Yazdanmehr; Saeid Jalali Asadabadi; Abolghasem Nourmohammadi; Majid Ghasemzadeh; Mahmood Rezvanian
Journal:  Nanoscale Res Lett       Date:  2012-08-31       Impact factor: 4.703
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