| 查看: 737 | 回复: 5 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[求助]
激发态计算
|
|||
| 问题是这样的，一篇文章写到excited at 340nm，那我做计算的话，激发态是不是该选与这个值比较接近的root来做激发态的优化，进而计算荧光？而不去考虑计算中的谐振强度f的大小。也就是说已经有了实验激发波长的话该如何计算荧光呢？在此先谢过各位了。 |
回复此楼» 猜你喜欢
福州大学新能源材料与工程研究院招收2026年入学博士
已经有0人回复
-
海南师范大学2026年博士研究生招收 (在职想提升学历人员可报考) 申请考核制
已经有0人回复
-
物理化学论文润色/翻译怎么收费?
已经有70人回复
-
锂离子电池循环寿命衰减过快，求机理分析与改进思路
已经有2人回复
-
求博导收留
已经有5人回复
-
CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优
已经有6人回复
-
德国Karlsruhe Institute of Technology招收电化学储能及联合培养CSC博士等
已经有20人回复
-
德国Karlsruhe Institute of Technology招收电化学储能及联合培养CSC博士
已经有21人回复
-
德国Karlsruhe Institute of Technology招收电化学储能及联合培养CSC博士
已经有1人回复
-
固态锂金属电池迁移数计算求助
已经有1人回复
-
荷兰奈梅亨大学赵文博与Galimberti课题组招收理论计算CSC博士 2000 欧元/月+房补
已经有0人回复
【答案】应助回帖
|
The absorption and emission of light direct correlate to the energy differences between the state. Think about how can you get the full uv-vis absorption spectrum from calculation for a molecule. For emission, we match the first excitation to the experimental data. (I might be wrong.) If you read something about dual photon excitation, that will give you a better understanding to your question. |
6楼2011-12-28 21:56:10
2楼2011-12-26 01:28:13
3楼2011-12-26 16:43:25
【答案】应助回帖
感谢参与，应助指数 +1
|
in the experiment, we usaually use single excitation to irradiate the sample to get the emission spectrum, such as flourescence and phosphorescence. In this case, I will calculate the UV-Vis absorption of the ground state molecule to see if there is overlap between the calculated absorption band and exictation light at 340nm. I believe there is. The phosphorescence is the emission spectrum from triplet state T1 to ground state. so, no matter what the excitation light you used, if there is phosphorescence emission, the spectrum should be the same for the same molecule. this is my 2 cents. |
4楼2011-12-28 00:24:38