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A new model for the hydrogen dimerization in α-SiO2

✍ Scribed by Luca Verdi; Antonio Miotello

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
242 KB
Volume
191
Category
Article
ISSN
0378-4371

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Density matrix model for hydrogen transf
Density matrix model for hydrogen transfer in the benzoic acid dimer
✍ Christoph Scheurer; Peter Saalfrank 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 552 KB

The double hydrogen transfer in benzoic acid dimers ('the system') embedded in a crystal ('the bath') is studied with time-dependent density matrix theory. The Liouville-von Neumann equation is solved for a two-dimensional model, using a state representation for the operators, and a polynomial expan