Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory-Reference-Cited by-同舟云学术

Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory

Published:2017-05-11 Issue:21 Volume:38 Page:1844-1852
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Vikramaditya Talapunur¹,Lin Shiang-Tai¹^ORCID

Affiliation:

1. Computational Molecular Engineering Laboratory, Department of Chemical Engineering; National Taiwan University; Taipei 10617 Taiwan

Funder

Ministry of Science and Technology, Taiwan

National Taiwan University

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference42 articles.

1. Nearly 100% internal phosphorescence efficiency in an organic light-emitting device

2. Molecular orientation in small-molecule organic light-emitting diodes

3. Computational study on thermally activated delayed fluorescence of donor–linker–acceptor network molecules

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5. Wallace C. H. 2013

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