Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02289369
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Submitted on : Monday, September 16, 2019 - 4:06:18 PM
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X. Gao, S. M. Bai, D. Fazzi, Thomas Niehaus, Mario Barbatti, et al.. Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods. Journal of Chemical Theory and Computation, 2017, 13, pp.515-524. ⟨10.1021/acs.jctc.6b00915⟩. ⟨hal-02289369⟩

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