Literature DB >> 9896312

Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms.

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Abstract

Year:  1985        PMID: 9896312     DOI: 10.1103/physreva.32.2010

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


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  11 in total

1.  Density per particle as a descriptor of Coulombic systems.

Authors:  P W Ayers
Journal:  Proc Natl Acad Sci U S A       Date:  2000-02-29       Impact factor: 11.205

2.  The implementation of a self-consistent constricted variational density functional theory for the description of excited states.

Authors:  Tom Ziegler; Mykhaylo Krykunov; John Cullen
Journal:  J Chem Phys       Date:  2012-03-28       Impact factor: 3.488

3.  Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods.

Authors:  Farnaz Heidar-Zadeh; Paul W Ayers; Patrick Bultinck
Journal:  J Mol Model       Date:  2017-11-21       Impact factor: 1.810

4.  Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase.

Authors:  Shubin Liu; Hao Hu; Lee G Pedersen
Journal:  J Phys Chem A       Date:  2010-05-13       Impact factor: 2.781

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

6.  Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.

Authors:  Stefan Vuckovic; Paola Gori-Giorgi
Journal:  J Phys Chem Lett       Date:  2017-06-09       Impact factor: 6.475

7.  Unveiling the Physics Behind Hybrid Functionals.

Authors:  Szymon Śmiga; Lucian A Constantin
Journal:  J Phys Chem A       Date:  2020-06-29       Impact factor: 2.781

8.  Equilibrium Bond Lengths from Orbital-Free Density Functional Theory.

Authors:  Kati Finzel
Journal:  Molecules       Date:  2020-04-13       Impact factor: 4.411

9.  Response Potential in the Strong-Interaction Limit of Density Functional Theory: Analysis and Comparison with the Coupling-Constant Average.

Authors:  Sara Giarrusso; Stefan Vuckovic; Paola Gori-Giorgi
Journal:  J Chem Theory Comput       Date:  2018-07-05       Impact factor: 6.006

10.  Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms.

Authors:  Subrata Jana; Szymon Śmiga; Lucian A Constantin; Prasanjit Samal
Journal:  J Chem Theory Comput       Date:  2020-11-18       Impact factor: 6.006

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