WebSAP ABAP DMS文档管理开发.docx 《SAP ABAP DMS文档管理开发.docx》由会员分享,可在线阅读,更多相关《SAP ABAP DMS文档管理开发.docx(14页珍藏版)》请在冰豆网上搜索。 WebThe TDWPD method contains both electronic coherence and delocalization effects in addition to the quantum nuclear effect. TDWPD calculations demonstrate that the …
Impact of the halogenated substituent on electronic and charge ...
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Nuclear quantum tunnelling and carrier delocalization effects to …
WebTDWPD method to study the three-dimensional (3D) exciton diffusion property by considering the nuclear quantum effect and the exciton delocalization simultaneously. Then, we apply the three models to systematically study two typical OSCs, anthracene, and a difluoroboron β-diketonate derivative BF 2 bcz. Anthracene has long been focused on both Webwave packet diffusion (TDWPD)28. However, despite numerous investigations, there has been few numerically unbiased simulations of a full microscopic Hamiltonian that is generated from first principles for both, electronic molecular and vibronic degrees of freedom12,29. Addition- WebOct 1, 2015 · The time-dependent wave packet diffusion (TDWPD) method was utilized by Zhao et al. to calculate the mobility [51]. Though the dynamic effect is an important factor, the hopping mechanism works well for the case of the weak electronic coupling between neighboring molecules. gray house with brown garage doors