Many-body formalism for thermally excited wave packets: A way to connect the quantum regime to the classical regime

Free classical particles have well-defined momentum and position, while free quantum particles have well-defined momentum but a position fully delocalized over the sample volume. We develop a many-body formalism based on wave-packet operators that connects these two limits, the thermal energy being...

Full description

Bibliographic Details
Main Authors: Combescot, Monique (Author), Chenu, Aurelia (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2017-07-10T15:27:42Z.
Subjects:
Online Access:Get fulltext
LEADER 01373 am a22001933u 4500
001 110586
042 |a dc 
100 1 0 |a Combescot, Monique  |e author 
100 1 0 |a Massachusetts Institute of Technology. Department of Chemistry  |e contributor 
100 1 0 |a Chenu, Aurelia  |e contributor 
700 1 0 |a Chenu, Aurelia  |e author 
245 0 0 |a Many-body formalism for thermally excited wave packets: A way to connect the quantum regime to the classical regime 
260 |b American Physical Society,   |c 2017-07-10T15:27:42Z. 
856 |z Get fulltext  |u http://hdl.handle.net/1721.1/110586 
520 |a Free classical particles have well-defined momentum and position, while free quantum particles have well-defined momentum but a position fully delocalized over the sample volume. We develop a many-body formalism based on wave-packet operators that connects these two limits, the thermal energy being distributed between the state spatial extension and its thermal excitation. The corresponding mixed quantum-classical states, which render the Boltzmann operator diagonal, are the physically relevant states when the temperature is finite. The formulation of many-body Hamiltonians in terms of these thermally excited wave packets and the resulting effective scatterings is provided. 
520 |a Swiss National Science Foundation 
546 |a en 
655 7 |a Article 
773 |t Physical Review A