@article{12945,
  keywords = {Atomic Physics (physics.atom-ph), FOS: Physical sciences, FOS: Physical sciences},
  author = {Dibyendu Sardar and Arthur Christianen and Hui Li and John Bohn},
  title = {Four-body singlet potential-energy surface for reactions of calcium monofluoride},
  abstract = {<p>A full six-dimensional Born-Oppenheimer singlet potential-energy surface is constructed for the reaction CaF &nbsp;+ &nbsp;CaF &nbsp;→ CaF 2 &nbsp; + &nbsp;Ca using a multireference configuration-interaction electronic structure calculation. The ab initio data thus calculated are interpolated by Gaussian process regression. The four-body potential-energy surface features one &nbsp;D 2 h &nbsp;global minimum and one &nbsp;C s &nbsp;local minimum, connected by a barrierless transition state that lends insight to the reaction mechanism. This surface is intended to be of use in understanding ultracold chemistry of CaF molecules.</p>
},
  year = {2022},
  journal = {Physical Review A},
  volume = {107},
  pages = {032822},
  month = {2023-03},
  publisher = {arXiv},
  url = {https://journals.aps.org/pra/abstract/10.1103/PhysRevA.107.032822},
  doi = {10.1103/PhysRevA.107.032822},
  note = {Submitted 11-10-2011},
}