Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor-Reference-Cited by-同舟云学术

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor

Published:2011-10-10 Issue:11 Volume:7 Page:3548-3559
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fabiano E.¹,Constantin Lucian A.²,Della Sala F.¹²

Affiliation:

1. National Nanotechnology Laboratory (NNL), Istituto Nanoscienze−CNR, Via per Arnesano 16, I-73100 Lecce, Italy

2. Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, I-73010 Arnesano, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200510s

Reference79 articles.

1. Inhomogeneous Electron Gas

2. Parr, R. G.; Yang, W.Density-Functional Theory of Atoms and Molecules;Oxford University Press:Oxford, 1989; pp 1–331.

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Perdew, J. P.; Schmidt, K.InDensity Functional Theory and Its Application to Materials;Van Doren, V. E.; Van Alsenoy, K.; Geerlings, P., Eds.American Institute of Physics:Melville, 2001; pp 1–207.

5. Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works

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