期刊
CHEMICAL PHYSICS LETTERS
卷 439, 期 4-6, 页码 386-392出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2007.03.090
关键词
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By expressing an unknown state in terms of a complete set, a simple scheme for approximate quantization of the continuous vibrational-rotational energy distributions that are obtained from quasi-classical trajectory calculations is suggested. The problem of zero-point energy leakage is also revisited, and the new method tested on the prototype O + OH and H + D-2 reactions. (C) 2007 Elsevier B.V. All rights reserved.
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