Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach
Abstract
We introduce a new semiclassical (SC) framework, the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), that can be tuned to reproduce existing quantum-limit and classical-limit SC approximations to quantum real-time correlation functions. Applying a modified Filinov transformation to a quantum-limit SC formulation leads to the association of a Filinov parameter with each degree of freedom in the system; varying this parameter from zero to infinity controls the extent of quantization of the corresponding mode. The resulting MQC-IVR expression provides a consistent dynamic framework for mixed quantum-classical simulations and we demonstrate its numerical accuracy in the calculation of real-time correlation functions for a model 1D system and a model 2D system over the full range of quantum- to classical-limit behaviors.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- May 08, 2015
- Source ID
- 10.1063/1.4919667
Entities
People
- Nandini Ananth
- Sergey V Antipov
- Ziyu Ye
Organizations
- Army Research Office
- Cornell University