How to remove the spurious resonances from ring polymer molecular dynamics.
Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical implementations of these methods differ in...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Institute of Physics Inc.
2014
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