Evaluation of Single-Reference DFT-Based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission-Reference-Cited by-同舟云学术

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Evaluation of Single-Reference DFT-Based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission

Published:2020-09-21 Issue:41 Volume:124 Page:8446-8460
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Han Jie¹,Rehn Dirk Robert¹,Buckup Tiago²³^ORCID,Dreuw Andreas¹³^ORCID

Affiliation:

1. Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg, D-69120 Heidelberg, Germany

2. Physikalisch Chemisches Institut, Universität Heidelberg, D-69120 Heidelberg, Germany

3. Centre for Advanced Materials, Universität Heidelberg, D-69120 Heidelberg, Germany

Funder

Deutsche Forschungsgemeinschaft

China Scholarship Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c07236

Reference99 articles.

1. Singlet Fission

2. Recent Advances in Singlet Fission

3. Solar conversion efficiency of photovoltaic and photoelectrolysis cells with carrier multiplication absorbers

4. Hybrid pentacene/a-silicon solar cells utilizing multiple carrier generation via singlet exciton fission

5. Harnessing singlet exciton fission to break the Shockley–Queisser limit

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1. Computational Discovery of Intermolecular Singlet Fission Materials Using Many-Body Perturbation Theory;The Journal of Physical Chemistry C;2024-05-01

2. Studies of nonadiabatic dynamics in the singlet fission processes of pentacene dimer via tensor network method;The Journal of Chemical Physics;2023-12-08

3. Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials;Chemical Reviews;2023-05-04

4. Electronic transition dipole moments from time-independent excited-state density-functional tight-binding;The Journal of Chemical Physics;2023-04-04

5. Plenty of Room on the Top: Pathways and Spectroscopic Signatures of Singlet Fission from Upper Singlet States;The Journal of Physical Chemistry Letters;2022-11-23

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