Ruzsinszky A - Search Results

1

Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6.

Ning J, Lane C, Barbiellini B, Markiewicz RS, Bansil A, Ruzsinszky A, Perdew JP, Sun J. Ning J, et al. Among authors: ruzsinszky a. J Chem Phys. 2024 Feb 14;160(6):064106. doi: 10.1063/5.0181349. J Chem Phys. 2024. PMID: 38341785

2

Examining the order-of-limits problem and lattice constant performance of the Tao-Mo functional.

Furness JW, Sengupta N, Ning J, Ruzsinszky A, Sun J. Furness JW, et al. Among authors: ruzsinszky a. J Chem Phys. 2020 Jun 28;152(24):244112. doi: 10.1063/5.0008014. J Chem Phys. 2020. PMID: 32610968

3

Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.

Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Perdew JP, et al. Among authors: ruzsinszky a. J Chem Phys. 2005 Aug 8;123(6):62201. doi: 10.1063/1.1904565. J Chem Phys. 2005. PMID: 16122287

4

Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules.

Ruzsinszky A, Perdew JP, Csonka GI. Ruzsinszky A, et al. J Phys Chem A. 2005 Dec 8;109(48):11006-14. doi: 10.1021/jp0534479. J Phys Chem A. 2005. PMID: 16331944

5

Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics.

Ruzsinszky A, Perdew JP, Csonka GI. Ruzsinszky A, et al. J Phys Chem A. 2005 Dec 8;109(48):11015-21. doi: 10.1021/jp053905d. J Phys Chem A. 2005. PMID: 16331945

6

Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals.

Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Ruzsinszky A, et al. J Chem Phys. 2006 Nov 21;125(19):194112. doi: 10.1063/1.2387954. J Chem Phys. 2006. PMID: 17129094

7

Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+.

Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Ruzsinszky A, et al. J Chem Phys. 2007 Mar 14;126(10):104102. doi: 10.1063/1.2566637. J Chem Phys. 2007. PMID: 17362056

8

Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction.

Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Csonka GI, et al. Among authors: ruzsinszky a. J Chem Phys. 2007 Jun 28;126(24):244107. doi: 10.1063/1.2743985. J Chem Phys. 2007. PMID: 17614537

9

Workhorse semilocal density functional for condensed matter physics and quantum chemistry.

Perdew JP, Ruzsinszky A, Csonka GI, Constantin LA, Sun J. Perdew JP, et al. Among authors: ruzsinszky a. Phys Rev Lett. 2009 Jul 10;103(2):026403. doi: 10.1103/PhysRevLett.103.026403. Epub 2009 Jul 10. Phys Rev Lett. 2009. PMID: 19659225

10

A simple but fully nonlocal correction to the random phase approximation.

Ruzsinszky A, Perdew JP, Csonka GI. Ruzsinszky A, et al. J Chem Phys. 2011 Mar 21;134(11):114110. doi: 10.1063/1.3569483. J Chem Phys. 2011. PMID: 21428610

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

57 results

Search Page

Filters