Literature DB >> 21230411

Phase-space algorithm for simulating quantum nonlinear response functions of bosons using stochastic classical trajectories.

Benoit Palmieri1, Yuki Nagata, Shaul Mukamel.   

Abstract

Using the positive P-representation of the density matrix, we develop an algorithm for calculating the quantum many-body nonlinear response functions of a system of bosons driven impulsively by external fields. The formalism maps the quantum time evolution of N boson degrees of freedom into a stochastic dynamics of 4N classical degrees of freedom. The first- and the third-order response functions are calculated by propagating the parameters of the P-representation using a set of coupled Langevin equations with multiplicative noise. These parameters serve as classical variables. Two classical ways for computing the response functions are presented. In the nonequilibrium method, an observable is calculated for weak impulsive pulses, and the response functions are obtained by taking its derivatives with respect to the pulse amplitudes. In the alternative, equilibrium simulation, the response functions are expressed in terms of time-correlation functions involving the P-representation parameters and stability matrices representing the perturbation of the trajectories. The stability matrices can be propagated simultaneously with the Langevin equations for the parameters. The formalism is generalized for a many-body boson system coupled to a harmonic bath.

Entities:  

Year:  2010        PMID: 21230411      PMCID: PMC3709579          DOI: 10.1103/PhysRevE.82.046706

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  20 in total

1.  Fifth-order raman spectrum of an atomic liquid: simulation and instantaneous-normal-mode calculation

Authors: 
Journal:  Phys Rev Lett       Date:  2000-07-31       Impact factor: 9.161

2.  Analyzing atomic liquids and solids by means of two-dimensional Raman spectra in frequency domain.

Authors:  Yuki Nagata; Taisuke Hasegawa; Yoshitaka Tanimura
Journal:  J Chem Phys       Date:  2006-05-21       Impact factor: 3.488

3.  Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms.

Authors:  Taisuke Hasegawa; Yoshitaka Tanimura
Journal:  J Chem Phys       Date:  2006-08-21       Impact factor: 3.488

4.  Classical divergence of nonlinear response functions.

Authors:  Maksym Kryvohuz; Jianshu Cao
Journal:  Phys Rev Lett       Date:  2006-01-24       Impact factor: 9.161

5.  Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation.

Authors:  Cyril Falvo; Benoit Palmieri; Shaul Mukamel
Journal:  J Chem Phys       Date:  2009-05-14       Impact factor: 3.488

Review 6.  Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives.

Authors:  Darius Abramavicius; Benoit Palmieri; Dmitri V Voronine; Frantisek Sanda; Shaul Mukamel
Journal:  Chem Rev       Date:  2009-06       Impact factor: 60.622

7.  An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics.

Authors:  Sandy Yang; Joshua D Coe; Benjamin Kaduk; Todd J Martínez
Journal:  J Chem Phys       Date:  2009-04-07       Impact factor: 3.488

8.  Ultrafast intermolecular dynamics of liquid water: a theoretical study on two-dimensional infrared spectroscopy.

Authors:  Takuma Yagasaki; Shinji Saito
Journal:  J Chem Phys       Date:  2008-04-21       Impact factor: 3.488

Review 9.  Coherent two-dimensional optical spectroscopy.

Authors:  Minhaeng Cho
Journal:  Chem Rev       Date:  2008-03-26       Impact factor: 60.622

10.  Classical chaos and fluctuation-dissipation relations for nonlinear response.

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1996-01
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