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...
| Main Authors: | , |
|---|---|
| Outros autores: | |
| Formato: | Thesis |
| Idioma: | English |
| Publicado: |
2006
|
| Subjects: |