Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets-Reference-Cited by-同舟云学术

Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets

Published:2013-07-12 Issue:8 Volume:9 Page:3444-3452
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bousquet Diane¹,Brémond Eric¹,Sancho-García Juan C.²,Ciofini Ilaria¹,Adamo Carlo¹³

Affiliation:

1. Laboratoire d’Electrochimie, Chimie des Interfaces et Modélisation pour l’Energie, CNRS UMR-7575, Chimie ParisTech, 11 rue P. et M. Curie, F-75231 Paris Cedex 05, France

2. Departamento de Química-Física, Universidad de Alicante, E-03080 Alicante, Spain

3. Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400358f

Reference81 articles.

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3. Construction of the adiabatic connection

4. Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds

5. Doubly Hybrid Meta DFT: New Multi-Coefficient Correlation and Density Functional Methods for Thermochemistry and Thermochemical Kinetics

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