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Method of collective degrees of freedom in spin-coherent-state path integral

โœ Scribed by J. Shibata; S. Takagi


Book ID
110128981
Publisher
SP MAIK Nauka/Interperiodica
Year
2001
Tongue
English
Weight
177 KB
Volume
64
Category
Article
ISSN
1063-7788

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An algorithm is presented for determining multi-dimensional reaction coordinates between two known conformers. Only the energy function and its gradient are required. The resulting paths follow the adiabatic energy valleys and have energy maxima that are true saddle points, which can be multiple alo