International audienceWe recently introduced an iterative method to compute quantum time correlation functions [Bonella et al. J. Chem.Phys 133 (16) 164105 (2010)]. There, the thermal part of the correlation function is treated exactly and, similar to the linearization techniques, at zero order of iteration only classical dynamics is required. In this work, we propose a new scheme for the zero order iteration of the method which significantly improves the efficiency of the calculations for high dimensional model systems
We propose an approximate method for calculating Kubo-transformed real-time correlation functions in...
We propose a new quantum dynamics method called the effective potential analytic continuation (EPAC)...
We present a new approach for calculating quantum time correlation functions for systems whose dynam...
International audienceWe recently introduced an iterative method to compute quantum time correlation...
We recently introduced an iterative method to compute quantum time correlation functions [Bonella et...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
Schofield's form of quantum time correlation functions is used as the starting point to derive a com...
A new approximate method for the calculation of quantum time correlation functions is derived. The n...
We present an approximation to the thermal symmetric form of the quantum time-correlation function i...
We show that quantum time correlation functions including electronically nonadiabatic effects can be...
Linearized mixed quantum-classical simulations are a promising approach for calculating time-correla...
198 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.A more direct calculation usi...
We propose an approximate method for calculating Kubo-transformed real-time correlation functions in...
198 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.A more direct calculation usi...
We propose an approximate method for calculating Kubo-transformed real-time correlation functions in...
We propose a new quantum dynamics method called the effective potential analytic continuation (EPAC)...
We present a new approach for calculating quantum time correlation functions for systems whose dynam...
International audienceWe recently introduced an iterative method to compute quantum time correlation...
We recently introduced an iterative method to compute quantum time correlation functions [Bonella et...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
Schofield's form of quantum time correlation functions is used as the starting point to derive a com...
A new approximate method for the calculation of quantum time correlation functions is derived. The n...
We present an approximation to the thermal symmetric form of the quantum time-correlation function i...
We show that quantum time correlation functions including electronically nonadiabatic effects can be...
Linearized mixed quantum-classical simulations are a promising approach for calculating time-correla...
198 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.A more direct calculation usi...
We propose an approximate method for calculating Kubo-transformed real-time correlation functions in...
198 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.A more direct calculation usi...
We propose an approximate method for calculating Kubo-transformed real-time correlation functions in...
We propose a new quantum dynamics method called the effective potential analytic continuation (EPAC)...
We present a new approach for calculating quantum time correlation functions for systems whose dynam...