2001
DOI: 10.1063/1.1394208
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Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method

Abstract: Articles you may be interested inEfficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics A note on quantum thermodynamic rate theories Iterative evaluation of the path integral for a system coupled to an anharmonic bath An on-the-fly filtered propagator functional path integral scheme is introduced as an efficient way of calculating the iterative dynamics of complex condensed systems. Time evolution of the reduce… Show more

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Cited by 84 publications
(106 citation statements)
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“…(6) are done using the augmented density matrix algorithm [11], supplemented with the method of "on-fly screening" [12]. This algorithm utilizes the fact that for the LA pho- …”
Section: Numerical Calculation Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…(6) are done using the augmented density matrix algorithm [11], supplemented with the method of "on-fly screening" [12]. This algorithm utilizes the fact that for the LA pho- …”
Section: Numerical Calculation Methodsmentioning
confidence: 99%
“…In this case the path integral can be reformulated as a pseudo-Markovian evolution of the so-called augmented density matrix. Here we apply a modification of this formalism combined with the "on-fly" path selection algorithm [12] to study the dynamics of Rabi oscillations in quantum dots. We obtain numerically accurate the dynamics of the system and study the previously inaccessible regime of long evolution times and high temperatures.…”
Section: Introductionmentioning
confidence: 99%
“…[52][53][54] Much effort has been made to overcome these problems and extend the applicability of this method. [55][56][57][58][59][60][61][62][63][64] Because this approach can easily incorporate the semi-classical approximation for the bath, it may be advantageous in the study of polyatomic systems treated in multi-dimensional coordinates, but applications to this point incorporating full quantum mechanical dynamics have been limited to relatively small systems without time-dependent external force.…”
Section: Introductionmentioning
confidence: 99%
“…(1) the path integral method is able to deliver a full solution for the dynamics of the electronic subsystem with a controlled accuracy [7][8][9][10]. The method directly evaluates the time evolution operator b UðtÞ at discrete times.…”
Section: Modelmentioning
confidence: 99%