作者: P. J. Kuntz
DOI: 10.1007/978-1-4613-2913-8_3
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摘要: This chapter treats a particular type of semiempirical method suitable for the calculation potential energy surfaces (PES) which are needed in atom-molecule collision processes. Such need to be accurate and readily calculable over wide range geometrical configurations from composite molecule separated fragments. Hence, methods designed primarily handle equilibrium geometries not considered here.