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Multiple Configuration Quantum/Classical Studies of the Photodissociation Dynamics of Ar−H 2 O †

✍ Scribed by Chen, Feng; McCoy, Anne B.

Book ID
120042815
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
189 KB
Volume
108
Category
Article
ISSN
1089-5639

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Quantum/classical hybrid dynamics of I2(A) photodissociation and recombination in matrix Ar, linear chain model
✍ Li Liu; Hua Guo 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 682 KB

A quantum/classical hybrid model is developed for the photodissociation and recombination dynamics of an 12 molecule in low temperature matrix Ar. This simplified model consists of an 12 molecule embedded in a linear chain of Ar atoms. The dynamics of 12 on its A state is treated quantum mechanicall