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Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = $\hbar^0$ ), we show that the QCLE does include Berry's phase effects and…

Chemical Physics · Physics 2020-01-29 Joseph Subotnik , Gaohan Miao , Nicole Bellonzi , Hung-Hsuan Teh , Wenjie Dou

We point out that the quantum dynamical map of an open quantum system can be generated by an effective Liouville operator. The effective Liouville shows the dynamical breaking of time reversibility. This breaking of reversibility is…

Quantum Physics · Physics 2017-08-01 Martin Janßen

The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium is described. The evolution of the system is governed by the quantum-classical Liouville equation. Rather than…

Statistical Mechanics · Physics 2025-01-15 Jeremy Schofield , Raymond Kapral

The conditions under which quantum-classical Liouville dynamics may be reduced to a master equation are investigated. Systems that can be partitioned into a quantum-classical subsystem interacting with a classical bath are considered.…

Statistical Mechanics · Physics 2015-06-25 Robbie Grunwald , Raymond Kapral

We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution of the quantum-classical Liouville equation (QCLE). By casting the equations of motion for the quantum subsystem and classical bath degrees…

Chemical Physics · Physics 2018-07-06 Junjie Liu , Gabriel Hanna

Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence…

Quantum Physics · Physics 2016-11-14 Raymond Kapral

The quantum-classical Liouville equation provides a description of the dynamics of a quantum subsystem coupled to a classical environment. Representing this equation in the mapping basis leads to a continuous description of discrete quantum…

Chemical Physics · Physics 2010-11-17 Ali Nassimi , Sara Bonella , Raymond Kapral

The evolution of a mixed quantum-classical system is expressed in the mapping formalism where discrete quantum states are mapped onto oscillator states, resulting in a phase space description of the quantum degrees of freedom. By defining…

Chemical Physics · Physics 2015-06-03 Aaron Kelly , Ramses van Zon , Jeremy Schofield , Raymond Kapral

Quantum Field Theory (QFT) makes predictions by combining assumptions about (1) quantum dynamics, typically a Schrodinger or Liouville equation; (2) quantum measurement, usually via a collapse formalism. Here I define a "classical density…

Quantum Physics · Physics 2007-05-23 Paul J. Werbos

In this paper Quantum Mechanics with Fundamental Length is built as a deformation of Quantum Mechanics. To this aim an approach is used which does not take into account commutator deformation as usually it is done, but density matrix…

General Relativity and Quantum Cosmology · Physics 2007-05-23 A. E. Shalyt-Margolin , J. G. Suarez

The modelling of quantum heat transfer processes at the nanoscale is crucial for the development of energy harvesting and molecular electronics devices. Herein, we adopt a mixed quantum-classical description of a device, in which the open…

Chemical Physics · Physics 2018-12-12 Junjie Liu , Chang-Yu Hsieh , Dvira Segal , Gabriel Hanna

The density-matrix and Heisenberg formulations of quantum mechanics follow--for unitary evolution--directy from the Schr"odinger equation. Nevertheless, the symmetries of the corresponding evolution operator, the Liouvillian L=i[.,H], need…

Quantum Physics · Physics 2007-05-23 Alec Maassen van den Brink , A. M. Zagoskin

For a certain class of open quantum systems there exists a dynamical symmetry which connects different time-evolved density matrices. We show how to use this symmetry for dynamics in the Liouville space with time-dependent parameters. This…

Quantum Physics · Physics 2012-08-06 Matouš Ringel , Vladimir Gritsev

The quantum-classical Liouville equation describes the dynamics of a quantum subsystem coupled to a classical environment. It has been simulated using various methods, notably, surface-hopping schemes. A representation of this equation in…

Other Condensed Matter · Physics 2010-11-17 Hyojoon Kim , Ali Nassimi , Raymond Kapral

Viewed as approximations to quantum mechanics, classical evolutions can violate the positive-semidefiniteness of the density matrix. The nature of this violation suggests a classification of dynamical systems based on classical-quantum…

Quantum Physics · Physics 2009-11-06 Salman Habib , Kurt Jacobs , Hideo Mabuchi , Robert Ryne , Kosuke Shizume , Bala Sundaram

It is shown, that by means of a special projection operator, the Liouville equation for an N-particle distribution function of classical particles, driven from an equilibrium state by an external field, can be exactly converted into a…

Statistical Mechanics · Physics 2020-06-24 Victor Los

Physical systems that dissipate, mix and develop turbulence also irreversibly transport statistical density. In statistical physics, laws for these processes have a mathematical form and tractability that depends on whether the description…

Statistical Mechanics · Physics 2022-11-16 Swetamber Das , Jason R. Green

We study the quantum mechanical Liouville model with attractive potential which is obtained by Hamiltonian symmetry reduction from the system of a free particle on $SL(2, \Real)$. The classical reduced system consists of a pair of Liouville…

High Energy Physics - Theory · Physics 2009-10-30 Hiroyuki Kobayashi , Izumi Tsutsui

Quantum mechanics has been formulated in phase space, with the Wigner function as the representative of the quantum density operator, and classical mechanics has been formulated in Hilbert space, with the Groenewold operator as the…

Quantum Physics · Physics 2017-02-23 A. J. Bracken , J. G. Wood

An area-preserving map of the unit sphere, consisting of alternating twists and turns, is mostly chaotic. A Liouville density on that sphere is specified by means of its expansion into spherical harmonics. That expansion initially…

chao-dyn · Physics 2009-10-28 Asher Peres , Daniel Terno
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