Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions-Reference-Cited by-同舟云学术

Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions

Published:2011-07-20 Issue:8 Volume:7 Page:2439-2451
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Laricchia S.¹,Fabiano E.²,Constantin L. A.¹,Della Sala F.¹²

Affiliation:

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

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200382w

Reference109 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Parr, R. G.; Yang, W.Density-Functional Theory of Atoms and Molecules;Oxford University Press:Oxford, 1989; pp1–333.

3. Dreizler, R. M.; Gross, E. K. U.Density Functional Theory;Springer:Heidelberg, 1990; pp1–302.

4. Martin, R.Electronic Structure: Basic Theory and Practical Methods;Cambridge Univerisity Press:Cambridge, U. K., 2004; pp1–624.

5. Koch, W.; Holthausen, M. C.A Chemist’s Guide to Density Functional Theory;Wiley-VCH:New York, 2001; pp1–294.

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