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...
| Prif Awduron: | , |
|---|---|
| Awduron Eraill: | |
| Fformat: | Traethawd Ymchwil |
| Iaith: | English |
| Cyhoeddwyd: |
2006
|
| Pynciau: |