Trajectory surface-hopping method for internal conversion and intersystem crossing

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:cdy516
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Trajectory-based fewest-switches surface-hopping(FSSH) dynamics simulations have become a popular and reliable theoretical tool to simulate nonadiabatic photophysical and photochemical processes.
其他文献
Previously,we proposed a closed-shell CC approach including spin-orbit coupling effects(SOC-CC).SOC is only considered in CC calculations and is neglected in se
会议
The random phase approximation(RPA) in a density functional context [1] is a promising method for computing ground-state correlation energies of small-gap syste
会议
The primary issue in molecular electronics is measuring and understanding how electrons travel through a single molecule strung between two electrodes.
会议
Recently the nuclear spin-induced optical rotation(NSOR)and circular dichroism(NSCD)for liquids was discovered and strongly studied and developed.
会议
The recent discoveries of the D2d B40 /0 and C3/C2 B39 borospherenes(all-boron fullerenes) open the door to a new class of boron-based nanostructures[1,2].
会议
Firefly bioluminescence attracts people via its glaring beauty and fascinating application.What is the light emitter of firefly?
会议
Ginseng,the root of Panax ginseng Meyer is one of the best known traditional herbal medicines in East Asia.The pharmacological activities of P.ginseng have been
会议
Quantum(mechanical) tunneling plays an important role in enhanced reactivity of some organic and enzymatic reactions.
会议
Endohedral metallofullerene has novel properties because of the interaction between the encapsulated metal atom or cation and fullerene.
会议
Small molecules have several advantages for high-efficiency organic photovoltaic(PV) because of their well-defined structures,definite molecular weight,and high
会议