Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1609.08173

Investigation of Dephasing In an Open Quantum System under Chaotic Influence via a Fractional Kohn-Sham Scheme

Timothy Ganesan

Published Sep 23, 2016• 0 citations
arXivHTMLPDF

Abstract

In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time-dependent density functional theory (TDDFT) framework was employed in tandem with the Lindblad master equation approach for modeling the dissipation dynamics. By employing the Kohn-Sham (K-S) scheme under certain approximations, the exact model system for the potentials was acquired. In addition, a space-fractional K-S scheme is developed (using the modified Riemann-Liouville operator) for modeling the dephasing phenomenon. Extensive analyses and comparative studies were then done on the results obtained using the space-fractional K-S system and the conventional K-S system.

DOI
10.48550/arxiv.1609.08173

Related papers

Investigation of dephasing in an open quantum system under chaotic influence via a fractional K ohn– S ham scheme

Timothy Ganesan

In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time‐dependent density functional theory framework was used in tandem with the Lindblad master equation approach for modeling the dissipative dynamics. Using the Kohn–Sham (K–S) scheme under certain approximations, the exact model for the potentials was acquired. In addition, a space‐fractional K–S scheme was developed (using the modified Riemann–Liouville operator) for modeling the dephasing phenomenon. Extensive analyses and comparative studies were then done on the results obtained using the space‐fractional K–S system and the conventional K–S system. © 2014 Wiley Periodicals, Inc.

International Journal of Quantum Chemistry•Jul 12, 2014•0 citations

Remarks on time-dependent [current]-density functional theory for open quantum systems

Joel Y. Yuen-Zhou, Alán Aspuru‐Guzik

Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a formalism that can incorporate dissipative effects in the dynamics of many-body quantum systems. Here, we review and clarify some formal aspects of these theories that have been recently questioned in the literature. In particular, we provide theoretical support for the following conclusions: (1) contrary to what we and others had stated before, within the master equation framework, there is in fact a one-to-one mapping between vector potentials and current densities for fixed initial state, particle-particle interaction, and memory kernel; (2) regardless of the first conclusion, all of our recently suggested Kohn-Sham (KS) schemes to reproduce the current and particle densities of the original OQS, and in particular, the use of a KS closed driven system, remains formally valid; (3) the Lindblad master equation maintains the positivity of the density matrix regardless of the time-dependence of the Hamiltonian or the dissipation operators; (4) within the stochastic Schrödinger equation picture, a one-to-one mapping from stochastic vector potential to stochastic current density for individual trajectories has not been proven so far, except in the case where the vector potential is the same for every member of the ensemble, in which case, it reduces to the Lindblad master equation picture; (5) master equations may violate certain desired properties of the density matrix, such as positivity, but they remain as one of the most useful constructs to study OQS when the environment is not easily incorporated explicitly in the calculation. The conclusions support our previous work as formally rigorous, offer new insights into it, and provide a common ground to discuss related theories.

Physical Chemistry Chemical Physics•Jan 1, 2013•3 citations

Investigating interaction-induced chaos using time-dependent density-functional theory

Adam Wasserman, Neepa T. Maitra, Eric J. Heller

Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using the linear response formalism of time-dependent density functional theory (TDDFT) to study the case when chaos is induced by electron-interaction alone. Nearest-neighbor level-spacing statistics are in principle exactly and directly accessible from TDDFT. We discuss how the TDDFT linear response procedure can reveal information about the mechanism of chaos induced by electron-interaction alone. A simple model of a two-electron quantum dot highlights the necessity to go beyond the adiabatic approximation in TDDFT.

arXiv:0706.2417•Physical Review A•Apr 1, 2008•5 citations

Dephasing in quantum chaotic transport: A semiclassical approach

Robert S. Whitney, Philippe Jacquod, Cyril Petitjean

We investigate the effect of dephasing (decoherence) on quantum transport through open chaotic ballistic conductors in the semiclassical limit of small Fermi wavelength to system size ratio, ${\ensuremath{\lambda}}_{F}∕L⪡1$. We use the trajectory-based semiclassical theory to study a two-terminal chaotic dot with decoherence originating from (i) an external closed quantum chaotic environment, (ii) a classical source of noise, and (iii) a voltage probe, i.e., an additional current-conserving terminal. We focus on the pure dephasing regime, where the coupling to the external source of dephasing is so weak that it does not induce energy relaxation. In addition to the universal algebraic suppression of weak localization, we find an exponential suppression of weak localization $\ensuremath{\propto}\mathrm{exp}[\ensuremath{-}\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}∕{\ensuremath{\tau}}_{\ensuremath{\phi}}]$, with the dephasing rate ${\ensuremath{\tau}}_{\ensuremath{\phi}}^{\ensuremath{-}1}$. The parameter $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}$ depends strongly on the source of dephasing. For a voltage probe, $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}$ is of order the Ehrenfest time $\ensuremath{\propto}\mathrm{ln}[L∕{\ensuremath{\lambda}}_{F}]$. In contrast, for a chaotic environment or a classical source of noise, it has the correlation length $\ensuremath{\xi}$ of the coupling or noise potential replacing the Fermi wavelength ${\ensuremath{\lambda}}_{F}$. We explicitly show that the Fano factor for shot noise is unaffected by decoherence. We connect these results to earlier works on dephasing due to electron-electron interactions and numerically confirm our findings.

arXiv:0710.5137•Physical Review B•Jan 15, 2008•24 citations

Machine-learning Kohn–Sham potential from dynamics in time-dependent Kohn–Sham systems

Jun Yang, James Daniel Whitfield

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.

arXiv:2207.00687•Machine Learning Science and Technology•Jul 19, 2023•8 citations

Quantum dynamics with dissipation: A treatment of dephasing in the stochastic Schrödinger equation

Dmitrii E. Makarov, Horia I. Metiu

The behavior of a quantum system coupled to a reservoir is usually described by an equation for the reduced density matrix. If the dephasing and the change of population in these equations can be described phenomenologically, then it is possible to develop a stochastic Schrödinger equation to describe quantum dynamics with dissipation. In this article, we propose a method for treating dephasing, within the stochastic Schrödinger equation, for many-level systems.

The Journal of Chemical Physics•Dec 8, 1999•37 citations
In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time-dependent density functional theory (TDDFT) framework was employed in tandem with the Lindblad master equation approach for modeling the dissipation dynamics. By employing the Kohn-Sham (K-S) scheme under certain approximations, the exact model system for the potentials was acquired. In addition, a space-fractional K-S scheme is developed (using the modified Riemann-Liouville operator) for modeling the dephasing phenomenon. Extensive analyses and comparative studies were then done on the results obtained using the space-fractional K-S system and the conventional K-S system.
In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time‐dependent density functional theory framework was used in tandem with the Lindblad master equation approach for modeling the dissipative dynamics. Using the Kohn–Sham (K–S) scheme under certain approximations, the exact model for the potentials was acquired. In addition, a space‐fractional K–S scheme was developed (using the modified Riemann–Liouville operator) for modeling the dephasing phenomenon. Extensive analyses and comparative studies were then done on the results obtained using the space‐fractional K–S system and the conventional K–S system. © 2014 Wiley Periodicals, Inc.
Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a formalism that can incorporate dissipative effects in the dynamics of many-body quantum systems. Here, we review and clarify some formal aspects of these theories that have been recently questioned in the literature. In particular, we provide theoretical support for the following conclusions: (1) contrary to what we and others had stated before, within the master equation framework, there is in fact a one-to-one mapping between vector potentials and current densities for fixed initial state, particle-particle interaction, and memory kernel; (2) regardless of the first conclusion, all of our recently suggested Kohn-Sham (KS) schemes to reproduce the current and particle densities of the original OQS, and in particular, the use of a KS closed driven system, remains formally valid; (3) the Lindblad master equation maintains the positivity of the density matrix regardless of the time-dependence of the Hamiltonian or the dissipation operators; (4) within the stochastic Schrödinger equation picture, a one-to-one mapping from stochastic vector potential to stochastic current density for individual trajectories has not been proven so far, except in the case where the vector potential is the same for every member of the ensemble, in which case, it reduces to the Lindblad master equation picture; (5) master equations may violate certain desired properties of the density matrix, such as positivity, but they remain as one of the most useful constructs to study OQS when the environment is not easily incorporated explicitly in the calculation. The conclusions support our previous work as formally rigorous, offer new insights into it, and provide a common ground to discuss related theories.
Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using the linear response formalism of time-dependent density functional theory (TDDFT) to study the case when chaos is induced by electron-interaction alone. Nearest-neighbor level-spacing statistics are in principle exactly and directly accessible from TDDFT. We discuss how the TDDFT linear response procedure can reveal information about the mechanism of chaos induced by electron-interaction alone. A simple model of a two-electron quantum dot highlights the necessity to go beyond the adiabatic approximation in TDDFT.
We investigate the effect of dephasing (decoherence) on quantum transport through open chaotic ballistic conductors in the semiclassical limit of small Fermi wavelength to system size ratio, ${\ensuremath{\lambda}}_{F}∕L⪡1$. We use the trajectory-based semiclassical theory to study a two-terminal chaotic dot with decoherence originating from (i) an external closed quantum chaotic environment, (ii) a classical source of noise, and (iii) a voltage probe, i.e., an additional current-conserving terminal. We focus on the pure dephasing regime, where the coupling to the external source of dephasing is so weak that it does not induce energy relaxation. In addition to the universal algebraic suppression of weak localization, we find an exponential suppression of weak localization $\ensuremath{\propto}\mathrm{exp}[\ensuremath{-}\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}∕{\ensuremath{\tau}}_{\ensuremath{\phi}}]$, with the dephasing rate ${\ensuremath{\tau}}_{\ensuremath{\phi}}^{\ensuremath{-}1}$. The parameter $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}$ depends strongly on the source of dephasing. For a voltage probe, $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\tau}}$ is of order the Ehrenfest time $\ensuremath{\propto}\mathrm{ln}[L∕{\ensuremath{\lambda}}_{F}]$. In contrast, for a chaotic environment or a classical source of noise, it has the correlation length $\ensuremath{\xi}$ of the coupling or noise potential replacing the Fermi wavelength ${\ensuremath{\lambda}}_{F}$. We explicitly show that the Fano factor for shot noise is unaffected by decoherence. We connect these results to earlier works on dephasing due to electron-electron interactions and numerically confirm our findings.
Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.