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Robust Performance of the Noniterative Triples Corrections in CCSD(T) Λ : YbS as a Challenging Case with Strong Variation of Orbital Rotation

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Year: 2026
Type: article
Source: The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6c01084
Authors: Tianxiang Chen, P. Bryan Changala, Michael C. McCarthy, Lan Cheng
Institutions: Johns Hopkins University, Smithsonian Institution, National Institute of Standards and Technology, Joint Institute for Laboratory Astrophysics, University of Colorado Boulder, Center for Astrophysics Harvard & Smithsonian
Language: English

Topic: Advanced Chemical Physics Studies
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, National Institute of Standards and Technology
Awards: NSF-BSF: Elucidating Interactions between Multiple Optical Cycling Centers in Hypermetallic Polyatomic Molecules, Accurate Electronic and Vibrational Structure Calculations of Metal-Containing Small Molecules of Importance to Precision Measurement and Laser Cooling, MRI: Acquisition of an Advanced Computing Instrument to Integrate Data-Driven Research and Data intensive computing at Johns Hopkins University
OpenAlex ID: W7161557778
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Cites: 82
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