Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics
5 years ago

Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes

Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes
W. Y. Fan, Z. C. Wong, T. S. Chwee, Michael B. Sullivan
Fluorescence lifetimes were evaluated using TD-DFT under different approximations for the emitting molecule. Non-empirically tuned functionals returned the most accurate results with absolute errors within 1.5 ns of experiment.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/8gNcWSFhM8k/C7CP03418K

DOI: 2017/CP/C7CP03418K

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.