Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface-Reference-Cited by-同舟云学术

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Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface

Published:2024-05-03 Issue:19 Volume:15 Page:5070-5075
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Gibbas Benjamin D.¹,Kaledin Martina¹^ORCID,Kaledin Alexey L.²^ORCID

Affiliation:

1. Department of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW, Box # 1203, Kennesaw, Georgia 30144, United States

2. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, Georgia 30322, United States

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00893

Reference45 articles.

1. C60: Buckminsterfullerene

2. Carbon molecules in space: from astrochemistry to astrobiology

3. Electronic Spectroscopy of Monocyclic Carbon Ring Cations for Astrochemical Consideration

4. Synthesis of C60 from Small Carbon Clusters

5. Atomic structure of carbon clusters laser-produced diamond-like carbon films

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to C_n Clusters for n = 3–10, 20;The Journal of Physical Chemistry A;2024-08-28

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