Computational Insights into Electronic Excitations, Spin–Orbit Coupling Effects, and Spin Decoherence in Cr(IV)-Based Molecular Qubits

Janicka, Karolina; Wysocki, Aleksander L.; Park, Kyungwha

doi:10.1021/acs.jpca.2c06854

Computational Insights into Electronic Excitations, Spin–Orbit Coupling Effects, and Spin Decoherence in Cr(IV)-Based Molecular Qubits

Journal Article · 21 October 2022 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.2c06854· OSTI ID:2420763

Janicka, Karolina ^[1]; ^[2]; ^[2]

Department of Physics, Virginia Tech, Blacksburg, Virginia24061, United States; OSTI
Department of Physics, Virginia Tech, Blacksburg, Virginia24061, United States

Not provided.

Research Organization:: Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0018326

OSTI ID:: 2420763

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 43 Vol. 126; ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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