REDUCED-DIMENSION QUANTUM CALCULATIONS FOR MOLECULE-SURFACE REACTIONS
We demonstrate the application of reduced dimensionality quantum scattering calculations to multidimensional molecule-surface reactions. Using hyperspherical coordinates, we solve a 2D Hamiltonian for H2 dissociation on a model metal surface, and show how a third dimension may be approximated by con...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1995
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