Semiclassical Instanton Theory of Nonadiabatic Reaction Rate Constant. I. Formulation

doi:10.1063/1.4730651

Full metadata record

DC Field	Value	Language
dc.contributor.author	Teranishi, Yoshiaki	en_US
dc.contributor.author	Nakamura, Hiroki	en_US
dc.contributor.author	Lin, Sheng H.	en_US
dc.date.accessioned	2014-12-08T15:24:34Z	-
dc.date.available	2014-12-08T15:24:34Z	-
dc.date.issued	2012	en_US
dc.identifier.isbn	978-0-7354-1057-2	en_US
dc.identifier.issn	0094-243X	en_US
dc.identifier.uri	http://hdl.handle.net/11536/17037	-
dc.identifier.uri	http://dx.doi.org/10.1063/1.4730651	en_US
dc.description.abstract	The reaction rate constant of electronically nonadiabatic chemical reactions is formulated by extending the semiclassical instanton theory of adiabatic chemical reaction with use of the Zhu-Nakamura theory of nonadiabatic transition. The instanton trajectory at a given temperature can be searched efficiently by the method used for multi-dimensional tunneling splitting. A compact expression of the rate constant applicable to multi-dimensional systems is derived.	en_US
dc.language.iso	en_US	en_US
dc.subject	nonadiabatic transition	en_US
dc.subject	reaction rate	en_US
dc.subject	semiclassical theory	en_US
dc.subject	instanton	en_US
dc.title	Semiclassical Instanton Theory of Nonadiabatic Reaction Rate Constant. I. Formulation	en_US
dc.type	Proceedings Paper	en_US
dc.identifier.doi	10.1063/1.4730651	en_US
dc.identifier.journal	THEORY AND APPLICATIONS IN COMPUTATIONAL CHEMISTRY: THE FIRST DECADE OF THE SECOND MILLENNIUM	en_US
dc.citation.volume	1456	en_US
dc.citation.spage	119	en_US
dc.citation.epage	130	en_US
dc.contributor.department	物理研究所	zh_TW
dc.contributor.department	Institute of Physics	en_US
dc.identifier.wosnumber	WOS:000306907400011	-
Appears in Collections:	Conferences Paper