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Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory.
J Chem Phys. 2020 May 21;152(19):194107. doi: 10.1063/5.0006743.
J Chem Phys. 2020.
PMID: 33687231
Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities.
Fajen OJ, Brorsen KR.
Fajen OJ, et al.
J Chem Theory Comput. 2021 Feb 9;17(2):965-974. doi: 10.1021/acs.jctc.0c01191. Epub 2021 Jan 6.
J Chem Theory Comput. 2021.
PMID: 33404241
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Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods.
Fajen OJ, Brorsen KR.
Fajen OJ, et al.
J Chem Phys. 2021 Dec 21;155(23):234108. doi: 10.1063/5.0071423.
J Chem Phys. 2021.
PMID: 34937367
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Systematic Investigation of the Molecular and Electronic Structure of Thorium and Uranium Phosphorus and Arsenic Complexes.
Tarlton ML, Fajen OJ, Kelley SP, Kerridge A, Malcomson T, Morrison TL, Shores MP, Xhani X, Walensky JR.
Tarlton ML, et al. Among authors: fajen oj.
Inorg Chem. 2021 Jul 19;60(14):10614-10630. doi: 10.1021/acs.inorgchem.1c01256. Epub 2021 Jun 30.
Inorg Chem. 2021.
PMID: 34192465
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