Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH <sub>5</sub> <sup>+</sup>-Reference-Cited by-同舟云学术

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Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH ₅ ⁺

Published:2023-09-28 Issue: Volume: Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Qu Chen¹,Yu Qi²,Houston Paul L.³⁴,Pandey Priyanka²,Conte Riccardo⁵,Nandi Apurba²,Bowman Joel M.²

Affiliation:

1. Independent Researcher, Toronto, Canada

2. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, GA, USA

3. Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York, NY, USA

4. Department of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, USA

5. Dipartimento di Chimica, Università degli Studi di Milano, Milano, Italy

Funder

NASA

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2262058

Reference32 articles.

1. CH 5 + : The Infrared Spectrum Observed

2. Taming CH 5 + , the “enfant terrible” of chemical structures

3. CH+5: The never‐ending story or the final word?

4. CH5+: The story goes on. An explicitly correlated coupled-cluster study

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