A method is presented to interpolate the potential energy function for a part of a system consisting of a few degrees of freedom, such as a molecule ลฝ . in solution. The method is based on a modified finite element FE interpolation scheme. The aim is to save computer time when expensive methods such
A Semiclassical Quantum Simulation for Laser-Induced Molecular Dynamics
โ Scribed by Yusheng Dou
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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