Modelling absorption and emission spectra of organic dyes

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:fspdgx
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
During this lecture,I will illustrate how Time-Dependent Density Functional Theory(TD-DFT) can be sucessfully used to simulate the properties of electronically excitedstates,and especially absorption and emission spectra.
其他文献
  Monolayer molybdenum disulfide(MoS2)is a two-dimensional semiconductor with direct band gap of 1.8 eV.Due to its unique electronic and optoelectronic proper
  Molecular beam epitaxy(MBE)has been used to grow rare-earth oxide films of Gd2O3 and Y2O3 epitaxially on GaAs(001)-4x6,GaAs(111)A,Si(111),and GaN(0001).Inte
  ZnO and Zn0.98Al0.02O nanostructures have been fabricated on the silicon substrate by a solution method at low temperature(90).The nanowire arrays were prep
  Fabrication of thin-film crystalline Silicon(Si)solar cells has several advantages compared to those fabricated by bulk silicon materials such as lower usag
  A membrane-based nanocalorimeter is designed for wide-temperature heat capacity measurement.The dimension of sample is in micrometer range,and the mass of s
  Time-variant magnetic flux can induce eddy current in metallic objects and thereby create induced magnetic dipoles that oppose the change of external magnet
  High thermal conductivity and high electrical resistivity of ceramics make them ideal interposer materials for three-dimensional integrated circuits.
We describe a model based in continuum mechanics that reduces the study of a significant class of problems of discrete dislocation dynamics to questions of the
会议
The correlation between different electrons motions is mostly local(electrons that are far from each other tend to move independently) and it is dominated by th
会议
Recent advances in the development of the nuclear-electronic orbital(NEO) approach will be presented.In this approach,selected nuclei are treated quantum mechan
会议