Structural, Electronic, and Optical Properties of Organic Electronic Materials from Density Functional Theory

Leeor Kronik

doi:10.1364/LS.2015.LM3H.3

Frontiers in Optics 2015
OSA Technical Digest (online) (Optica Publishing Group, 2015),
paper LM3H.3
•https://doi.org/10.1364/LS.2015.LM3H.3

Structural, Electronic, and Optical Properties of Organic Electronic Materials from Density Functional Theory

Leeor Kronik

Laser Science 2015

San Jose, California United States
18–22 October 2015
ISBN: 978-1-943580-03-3

From the session
Semiconductor NanoOptics I (LM3H)

Not Accessible

Your library or personal account may give you access

Get PDF
Email
Share
Get Citation
Copy Citation Text
L. Kronik, "Structural, Electronic, and Optical Properties of Organic Electronic Materials from Density Functional Theory," in Frontiers in Optics 2015, OSA Technical Digest (online) (Optica Publishing Group, 2015), paper LM3H.3.

Export Citation
- BibTex
- Endnote (RIS)
- HTML
- Plain Text
Citation alert
Save article

Abstract

In this presentation, I show how advanced approaches within density functional theory, namely dispersive corrections and optimal tuning of range-separated hybrid functionals, can lead to quantitative predictive power for structural, electronic, and optical properties of organic electronic materials.

PDF Article

More Like This

Ab Initio Studies of Structure and Excited States of Organic-Based Semiconductors

Jeffrey B. Neaton
LTh3I.5 Laser Science (LS) 2015

Electronic structure and optical properties of ZnSe from first-principles calculations

Zhiqiang Yu, Zhimou Xu, Xinghui Wu, and Zhichao Ma
JF2A.37 Fiber-Based Technologies and Applications (FBTA) 2014

Structure-Property Relationships for Organic Nonlinear Optical Materials

Seth R. Marder
FWK5 Frontiers in Optics (FiO) 2006

Previous Article Next Article