Rovibrationally inelastic scattering of (v=1, j=1) H[sub 2] from Cu(100): Experiment and theory
نویسندگان
چکیده
منابع مشابه
Full-dimensional quantum dynamics of rovibrationally inelastic scattering between CN and H2.
We report six-dimensional (6D) potential energy surface (PES) and rovibrational scattering calculations for the CN-H2 collision system. The PES was computed using the high-level ab initio spin-restricted coupled-cluster with single, double, and perturbative triple excitations-F12B method and fitted to an analytic function using an invariant polynomial method in 6D. Quantum close-coupling calcul...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2001
ISSN: 0021-9606
DOI: 10.1063/1.1330728