Browsing College of Sciences and Mathematics by Author "Bakr, Brandon W."

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Highly accurate potential energy surface for the He-H-2 dimer

Bakr, Brandon W.; Smith, Daniel G. A.; Patkowski, Konrad; Brandon W. Bakr, Daniel G. A. Smith, and Konrad Patkowski (2020-01-16)

A new highly accurate interaction potential is constructed for the He–H2 van der Waals complex. This potential is fitted to 1900 ab initio energies computed at the very large-basis coupled-cluster level and augmented by ...