Comments on energy minimization in subspaces of coordinates and on “chemical hysteresis”
- 1 August 1983
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 24 (2) , 161-167
- https://doi.org/10.1002/qua.560240204
Abstract
Using partial minimization of the potential energy function, the determination of the points of the reaction path does not often lead to unambiguous results. The reason is that the subspace of the coordinates where the minimization takes place cannot be arbitrarily chosen.Keywords
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