Molecules relevant for organic photovoltaics: a range-separated density functional study-Reference-Cited by-同舟云学术

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Molecules relevant for organic photovoltaics: a range-separated density functional study

Published:2015-07-06 Issue:19-20 Volume:113 Page:2930-2938
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Kar Rahul,Borpuzari Manash Protim,Song Jong-Won,Hirao Kimihiko

Funder

Department of Science and Technology (DST), New Delhi

Japan Society for the Promotion of Science (JSPS) KAKENHI

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1059512

Reference43 articles.

1. ORGANIC PHOTOVOLTAIC DEVICES

2. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

3. Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?

4. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

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1. Long-range Corrected Density Functional Theory Including a Two-Gaussian Hartree−Fock Operator for High Accuracy Core-excitation Energy Calculations of Both the Second- and Third-Row Atoms (LC2gau-core-BOP);Journal of Chemical Theory and Computation;2024-08-06

2. Understanding Photophysical Properties of Molecules Relevant in Organic Semiconductor Laser Diodes from Electron Localization Function-Tuned and Solvent-Tuned Range-Separated Functionals;The Journal of Physical Chemistry A;2023-10-20

3. Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)];Journal of Computational Chemistry;2018-11-19

4. A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned range-separated functional;Journal of Computational Chemistry;2017-07-18

5. Ionisation potential theorem in the presence of the electric field: Assessment of range-separated functional in the reproduction of orbital and excitation energies;The Journal of Chemical Physics;2016-04-28

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