The X1 family of methods that combines B3LYP with neural network corrections for an accurate yet efficient prediction of thermochemistry-Reference-Cited by-同舟云学术

The X1 family of methods that combines B3LYP with neural network corrections for an accurate yet efficient prediction of thermochemistry

Published:2015-04-20 Issue:16 Volume:115 Page:1021-1031
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Wu Jianming¹,Zhou Yuwei¹,Xu Xin¹

Affiliation:

1. Collaborative Innovation Center of Chemistry for Energy Materials; Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University; Shanghai 200433 China

Funder

The Ministry of Science and Technology

National Natural Science Foundation of China

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24919/fullpdf

Reference108 articles.

1. Density-functional exchange-energy approximation with correct asymptotic behavior

2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density