Hyperfine Coupling Constants in Local Exact Two-Component Theory
Author:
Affiliation:
1. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße 4, 35032 Marburg, Germany
2. Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, California 92697-2025, United States
Funder
National Science Foundation
Fonds der Chemischen Industrie (FCI)
TURBOMOLE GmbH
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01027
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1. Atomic clock transitions in silicon-based spin qubits
2. Enhancing coherence in molecular spin qubits via atomic clock transitions
3. Millisecond Coherence Time in a Tunable Molecular Electronic Spin Qubit
4. Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2Σ and Vinyl Radicals as Test Cases
5. Nature of Hyperfine Interactions in TbPc2 Single-Molecule Magnets: Multiconfigurational Ab Initio Study
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