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Theoretical and Computational Chemistry

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open-shell systems

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2 results in Keywords: open-shell systems

Theoretical and Computational Chemistry

Assessing recent time-dependent double-hybrid density functionals on doublet-doublet excitations

Joshua Van Dijk, Marcos Casanova-Paez, Lars Goerigk

Version 2 posted 12 April 2022

264

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1

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Theoretical and Computational Chemistry

Principal Interacting Spin Orbital: Understanding the Fragment Interactions in Open-Shell Systems

Fu Kit Sheong, Jing-Xuan Zhang, Zhenyang Lin

Version 1 posted 02 January 2020

425

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