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Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems.
J Chem Phys. 2021 Mar 28;154(12):124116. doi: 10.1063/5.0046404.
J Chem Phys. 2021.
PMID: 33810663
Spin-Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction.
Rodríguez-Jiménez JA, Carreras A, Casanova D.
Rodríguez-Jiménez JA, et al.
J Phys Chem A. 2023 Feb 9;127(5):1206-1218. doi: 10.1021/acs.jpca.2c08056. Epub 2023 Jan 31.
J Phys Chem A. 2023.
PMID: 36719861
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Small-Occupation Density Functional Correlation Energy Correction to Wave Function Approximations.
Rodríguez-Jiménez JA, Carreras A, Casanova D.
Rodríguez-Jiménez JA, et al.
J Chem Theory Comput. 2024 Feb 13;20(3):1118-1129. doi: 10.1021/acs.jctc.3c01067. Epub 2024 Jan 16.
J Chem Theory Comput. 2024.
PMID: 38227943
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