期刊
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
卷 48, 期 16, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/48/16/164003
关键词
ab initio multiple spawning; light induced conical intersections; coherent control; photoisomerization; 1,3-cyclohexadiene
资金
- National Science Foundation [PHY-0969322]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, AMOS program [DE-AC02-76SF00515]
- Division Of Physics
- Direct For Mathematical & Physical Scien [1504584] Funding Source: National Science Foundation
We extend the ab initio multiple spawning method to include both field-free and field-induced nonadiabatic transitions. We apply this method to describe ultrafast pump-probe experiments of the photoinduced ring-opening of gas phase 1,3-cyclohexadiene. In the absence of a control field, nonadiabatic transitions mediated by a conical intersection (CoIn) lead to rapid ground state recovery with both 1,3-cyclohexadiene and ring-opened hexatriene products. However, application of a control field within the first 200 fs after photoexcitation results in suppression of the hexatriene product. We demonstrate that this is a consequence of population dumping prior to reaching the CoIn and further interpret this in terms of light-induced CoIns created by the control field.
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