Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor
- DOI
- 10.1021/acs.jpca.4c06466
- Published
- 2024-11-27
- Container
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jpca.4c06466,
title = {Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor},
author = {Mercè Deumal and Jordi Ribas-Ariño and Cristina Roncero and Michael A. Robb},
year = {2024},
journal = {The Journal of Physical Chemistry A},
doi = {10.1021/acs.jpca.4c06466},
url = {https://doi.org/10.1021/acs.jpca.4c06466}
}RIS
TY - JOUR TI - Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor AU - Mercè Deumal AU - Jordi Ribas-Ariño AU - Cristina Roncero AU - Michael A. Robb PY - 2024 JO - The Journal of Physical Chemistry A DO - 10.1021/acs.jpca.4c06466 UR - https://doi.org/10.1021/acs.jpca.4c06466 ER -
APA
Deumal, M., Ribas-Ariño, J., Roncero, C., & Robb, M. A. (2024). Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.4c06466
Source records
- crossref · retrieved 2026-09-25T13:31:50.711Z