Quantum chemical results for the lowest four potentials of the HeH molecule and the corresponding rotational and radial nonadiabatic coupling matrix elements are reported. Close-coupling calculations of the integral cross sections for the excitation processes are performed on this basis. The calculated cross sections are in a reasonable agreement with the experimental data.
DOI:https://doi.org/10.1103/PhysRevA.91.062709
©2015 American Physical Society
The , , , and adiabatic potential energy curves of HeH (a), and the differences of the potentials from the ground-state potential, with the ground-state potential set to zero (b). The molecular states are identified by the first letter.
Reuse & PermissionsThe radial (a) and rotational (b) coupling matrix elements. The adiabatic molecular states , , , and are identified by the first letter.
Reuse & PermissionsThe cross sections as functions of the relative energy. Heavy lines: numerical results for ) (lower, red line) and ) (upper, black line). Light lines: the partial cross section for ) (blue dashed line) and ) (orange dot-dashed line). Symbols: ) production (upper, black) and an upper limit for ) production (lower, red).
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