Concepedia

Accurate H3 dynamics on an accurate H3 potential surface

Robert B. Walker, Ellen B. Stechel, John C. Light

The Journal of Chemical Physics · 1978 · 177 citations · 9 references

DOI

Concepts

Abstract

Converged quantum close coupling calculations for the hydrogen exchange reaction on the chemically accurate potential surface of Siegbahn and Liu, using the fit of Truhlar and Horowitz, are reported. Comparisons are made with the Porter–Karplus potential energy surface.

References

9

An accurate three-dimensional potential energy surface for H3

Per E. M. Siegbahn, B. Liu · The Journal of Chemical Physics · 1978 · 777 citations

, , +16

Potential Energy Surface for H3

R. N. Porter, Martin Karplus · The Journal of Chemical Physics · 1964 · 667 citations

, , +17

An <i>R</i> matrix approach to the solution of coupled equations for atom–molecule reactive scattering

John C. Light, Robert B. Walker · The Journal of Chemical Physics · 1976 · 627 citations

, , +15

Functional representation of Liu and Siegbahn’s accurate <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> potential energy calculations for H+H2

Donald G. Truhlar, C. J. Horowitz · The Journal of Chemical Physics · 1978 · 619 citations

, , +17

<i>Ab initio</i> potential energy surface for linear H3

B. Liu · The Journal of Chemical Physics · 1973 · 529 citations

, , +14