Ring polymer molecular dynamics
<p>This thesis presents the ring polymer molecular dynamics (RPMD) approximation to the Kubo-transformed time correlation function and shows how it may be used as the basis of an approximate quantum-mechanical method for determining the dynamical properties of condensed-phase molecular system...
| Principais autores: | , |
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| Formato: | Tese |
| Idioma: | English |
| Publicado em: |
2006
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