𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A general analytical expression for the three-dimensional Franck–Condon integral and simulation of the photodetachment spectrum of the anion

✍ Scribed by Liang, Jun; Cui, Fang; Wang, Ru; Huang, Wei; Cui, Zhifeng

Book ID
120372421
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
668 KB
Volume
286-287
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A combined ab initio and Franck-Condon f
A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of ScO2−
✍ Edmond P. F. Lee; Daniel K. W. Mok; Foo-Tim Chau; John M. Dyke 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 188 KB 👁 1 views

## Abstract Restricted‐spin coupled‐cluster single‐double plus perturbative triple excitation {RCCSD(T)} potential energy functions (PEFs) of the $ \tilde X $^2^B~2~ state of ScO~2~ and the $ \tilde X $^1^A~1~ state of ScO~2~^−^ were computed, employing the augmented correlation‐consistent polarize

Franck–Condon simulation of the photoele
Franck–Condon simulation of the photoelectron spectrum of AsCl2 and the photodetachment spectrum of AsCl employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2
✍ Daniel K. W. Mok; Edmond P. F. Lee; Foo-Tim Chau; John M. Dyke 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 571 KB

The currently most reliable theoretical estimates of the adiabatic ionization energies (AIE 0 ) from the X ˜2B 1 state of AsCl 2 to the X ˜1A 1 and a ˜3B 1 states of AsCl þ 2 , and the electron affinity (EA 0 ) of AsCl 2 , including DZPE corrections, are calculated as 8. 687(11), 11.320(23), and 1.8