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Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections.
J Phys Chem A. 2024 Aug 8;128(31):6521-6539. doi: 10.1021/acs.jpca.4c02583. Epub 2024 Jul 29.
J Phys Chem A. 2024.
PMID: 39074123
Economical quasi-Newton unitary optimization of electronic orbitals.
Slattery SA, Surjuse KA, Peterson CC, Penchoff DA, Valeev EF.
Slattery SA, et al. Among authors: surjuse ka.
Phys Chem Chem Phys. 2024 Feb 22;26(8):6557-6573. doi: 10.1039/d3cp05557d.
Phys Chem Chem Phys. 2024.
PMID: 38329140
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