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...

Cur síos iomlán

Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Craig, I, Ian R. Craig
Rannpháirtithe: Manolopoulos, D
Formáid: Tráchtas
Teanga:English
Foilsithe / Cruthaithe: 2006
Ábhair: