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Quantum reactive scattering via the log derivative version of the Kohn variational principle: General theory for bimolecular chemical reactions

✍ Scribed by Manolopoulos, David E.; D’Mello, Michael; Wyatt, Robert E.


Book ID
120205083
Publisher
American Institute of Physics
Year
1989
Tongue
English
Weight
897 KB
Volume
91
Category
Article
ISSN
0021-9606

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Quantum scattering via the log derivativ
✍ D.E. Manolopoulos; R.E. Wyatt 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 826 KB

The log derivative version of Kohn's variational principle is used as a setting for a new numerical approach to quantum scattering problems. In particular, a new radial basis set is devised which is both (a) ideally suited to the log derivative boundary value problem, and (b) directly amenable to a