Joachim Schaefer, William A. Lester Jr., et al.
Chemical Physics Letters
The CI surface of Tsapline and Kutzelnigg is extended to smaller H2He separations. Defining R as the H2He distance, r as the H2 separation, and γ as the agnel between them, the ab initio values are fit to a Legendre series in cosγ retaining the first three (even) terms with the coefficients given as analytic functions of R and r to facilitate semiclassical scattering computations. The fit is quantitative for 1.0 < r < 1.8 au, 1.8 au < R < ∞ and is expected to extrapolate well in the region 0.5 < r 2.5 au, R {greater-than or approximate} r/2 + 1. © 1977.
Joachim Schaefer, William A. Lester Jr., et al.
Chemical Physics Letters
Reinhard Schinke, William A. Lester Jr.
The Journal of Chemical Physics
Andrew W. Raczkowski, William A. Lester Jr., et al.
The Journal of Chemical Physics
Frank Rebentrost, William A. Lester Jr.
The Journal of Chemical Physics