✦ LIBER ✦
Conditions for the equivalence of the “surface hopping” and complex-valued time methods to affect nonadiabatic transitions
✍ Scribed by J.R. Stine; J.T. Muckerman
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 338 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
In this paper we cxammc two sem~cl~s~ic~l thcorics used lo descnbl: collision induced clcctromc transitions, namely the surface hopping method of Tully and Preston and the 'exact' scmiclasslwl method of MlIIer and Gcogc, and give condltlons such that the two methods UC equivalent. An cxamplc usmg i-DIM potential cncrgy for Hi is discussed.
l Research performed under the auspices of the U.S. Energy
Research and Development Admmistntion.