Abstract
This chapter treats a particular type of semiempirical method suitable for the calculation of potential energy surfaces (PES) which are needed in atom-molecule collision processes. Such surfaces need to be accurate and readily calculable over a wide range of geometrical configurations from the composite molecule to the separated fragments. Hence, semiempirical methods designed primarily to handle equilibrium geometries are not considered here.
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© 1979 Plenum Press, New York
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Kuntz, P.J. (1979). Interaction Potentials II: Semiempirical Atom-Molecule Potentials for Collision Theory. In: Bernstein, R.B. (eds) Atom - Molecule Collision Theory. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-2913-8_3
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DOI: https://doi.org/10.1007/978-1-4613-2913-8_3
Publisher Name: Springer, Boston, MA
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