Quantum-Mechanical Hamiltonian for Chemical Reactions. II. Practical Considerations
- 15 April 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (8) , 3843-3849
- https://doi.org/10.1063/1.1677788
Abstract
The work of a previous paper is extended. The most vexing practical problems are solved. The present work, given a suitable basis set, will allow the complete three‐dimensional chemical reaction problem to be expressed in terms of ordinary coupled differential equations for the class of reactions considered. A useful treatment of collinear reactions is also given.Keywords
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