Charge Transfer with a Spin. I: A Variational Constrained-CASSCF Framework for Investigating Charge Transfer in the Presence of Spin–Orbit Coupling

Alok Kumar, Zhen Tao, Joseph E. Subotnik, Tian Qiu

Open source

DOI
10.1021/acs.jpca.6c05082
Published
2026-10-23
Container
The Journal of Physical Chemistry A
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jpca.6c05082,
  title = {Charge Transfer
with a Spin. I: A Variational Constrained-CASSCF
Framework for Investigating Charge Transfer in the Presence of Spin–Orbit
Coupling},
  author = {Alok Kumar and Zhen Tao and Joseph E. Subotnik and Tian Qiu},
  year = {2026},
  journal = {The Journal of Physical
Chemistry A},
  doi = {10.1021/acs.jpca.6c05082},
  url = {https://doi.org/10.1021/acs.jpca.6c05082}
}

RIS

TY  - JOUR
TI  - Charge Transfer
with a Spin. I: A Variational Constrained-CASSCF
Framework for Investigating Charge Transfer in the Presence of Spin–Orbit
Coupling
AU  - Alok Kumar
AU  - Zhen Tao
AU  - Joseph E. Subotnik
AU  - Tian Qiu
PY  - 2026
JO  - The Journal of Physical
Chemistry A
DO  - 10.1021/acs.jpca.6c05082
UR  - https://doi.org/10.1021/acs.jpca.6c05082
ER  - 

APA

Kumar, A., Tao, Z., Subotnik, J. E., & Qiu, T. (2026). Charge Transfer with a Spin. I: A Variational Constrained-CASSCF Framework for Investigating Charge Transfer in the Presence of Spin–Orbit Coupling. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.6c05082

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