Approximate calculation of the collective excited states of a cytosine stack
✍ Scribed by J. Ladik; H. Früchtl; P. Otto; J. Jäger
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 270 KB
- Volume
- 297
- Category
- Article
- ISSN
- 0022-2860
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## Abstract By using calculations rooted in the time dependent density functional theory (TD‐DFT) we have investigated how the lowest energy excited states of a face‐to‐face π‐stacked cytosine dimer vary with the intermonomer distance (__R__). The perfomances of different density functionals have b
The excited states of CO, 1120 and NH; have been c&Wed by the singly excjted canfipuration interaction method using two large basis sets, one of which contained diffuse functions in order to dcscrldi Rydberg states-Results are found to be in good agreement with experiment for both excitation energie