Choice of basis sets for intersystem crossing
โ Scribed by Noriyuki Shimakura; Yuichi Fujimura; Takeshi Nakajima
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 280 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Transient absorption and two-step laser-induced fluorescence studies ofcoumarin (CM), 'I-hydroxy-4-methylcoumarin (7HMC) and 7diethylamino-4-methylcoumarin (7DAMC) were performed to determine GJ,~, the yield of T,+S, ISC. 9 was measured to be 8.4~ 10m4and 1.4X 10-j for 7HMC and 7DAMC. respectively.
Information theoretic techniques have been applied for the refinement of Gaussian basis sets. A refined distribution has been obtained by cross-entropy minimization starting from a near Hartree-Fock quality density distribution. For this purpose, the Kullback-Leibler cross-entropy, S[&,] =jp(r) In [
A model is proposed for colhsion-induced intersystem crossing in "intermediate case" and small moieccules. The collisions are assumed to cause dephasing (Tz) among the zero order singlet and triplet molecular states. The combined effect of the intramoIecu!a.r spin-orbit coupling (H) and the coUision
The excess energy dependcrrce of the intersystems crossing rate constant for hrSe isohted moIecu!es is studied assuming rapid redistribution of vibrational energy after excitation. Exponential increase of therJfe:-constant is predieted for hge separation between the initial singlet and the final tri