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In this paper we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor-bridge-acceptor…

化学物理 · 物理学 2023-03-09 Thomas P. Fay , David T. Limmer

Quantum mechanical methods have been devised for the elucidation and clarification of reaction paths of chemical processes over decades. While they are typically deployed in routine calculations on systems for which some insights have…

For the one-dimensional spin-1/2 XX model with either periodic or open boundary conditions, it is shown by using a fermionic approach that the matrix element of the spin operator $S^-_j$ ($S^-_{j}S^+_{j'}$) between two eigenstates with…

统计力学 · 物理学 2018-01-10 Ning Wu

Algebraic framework for construction of a commuting set of operators that can be interpreted as integrals of motion of the open spin chain with boundary conditions and nearest neighbour interaction is investigated.

高能物理 - 理论 · 物理学 2007-05-23 L. Hlavaty

The article presents new model of equilibrium in open chemical systems suggesting a linear dependence of the reaction shift from equilibrium in presence of the external thermodynamic force. Basic equation of this model contains traditional…

化学物理 · 物理学 2007-05-23 B. Zilbergleyt

The strong system-bath correlation is a typical initial condition in many condensed matter and some quantum optical systems. Here, the dynamics of a spin interacting with a spin bath through an intermediate spin are studied. Initial…

量子物理 · 物理学 2014-01-30 V. Semin , I. Sinayskiy , F. Petruccione

We present an alternative form of master equation, applicable on the analysis of non-equilibrium dynamics of fermionic open quantum systems. The formalism considers a general scenario, composed by a multipartite quantum system in contact…

量子物理 · 物理学 2017-11-15 Fabrício M. Souza , L. Sanz

A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the $\lambda$--$\newrho$ model for irreversible…

生物物理 · 物理学 2010-05-12 J. Lipkova , K. C. Zygalakis , S. J. Chapman , R. Erban

It is feasible to obtain any basic rule of the already known Quantum Mechanics applying the Hamilton-Jacobi formalism to an interacting system of 2 fermionic degrees of freedom. The interaction between those fermionic variables unveils also…

综合物理 · 物理学 2011-03-01 P. A. Ritto

The dynamics of an open quantum system can be fully described and tomographically reconstructed if the experimenter has complete control over the system of interest. Most real-world experiments do not fulfill this assumption, and the amount…

量子物理 · 物理学 2018-07-09 Simon Milz , Felix A. Pollock , Kavan Modi

The dynamics of excitonic energy transfer in molecular complexes triggered by interaction with laser pulses offers a unique window into the underlying physical processes. The absorbed energy moves through the network of interlinked pigments…

量子物理 · 物理学 2025-12-30 Tobias Kramer

A collective spin model is used to describe two species of mutually interacting ultracold bosonic atoms confined to a toroidal trap. The system is modeled by a Hamiltonian that can be split into two components, a linear part and a quadratic…

量子气体 · 物理学 2024-06-05 Allison Brattley , Tomáš Opatrný , Kunal K. Das

The development of new electronic structure methods is a very time consuming and error prone process when done by hand. SpinAdaptedSecondQuantization is an open-source Julia package we have developed for working with automated electronic…

化学物理 · 物理学 2025-08-26 Marcus T. Lexander , Tor S. Haugland , Federico Rossi , Henrik Koch

We introduce a general definition of a quantum committor in order to clarify reaction mechanisms and facilitate control in processes where coherent effects are important. With a quantum committor, we generalize the notion of a transition…

化学物理 · 物理学 2024-03-29 Michelle C. Anderson , Amro Dodin , Thomas P. Fay , David T. Limmer

The approach to a substantiation of thermodynamics is offered. A conservative system of interacting elements, which is not in equilibrium, is used as a model. This system is then split into small subsystems that are accepted as being in…

统计力学 · 物理学 2007-05-23 V. M. Somsikov

We consider the evolution of a two-state quantum system (a spin 1/2 particle) in both the framework of standard quantum mechanics and under the decoherence regime. The former approach on this issue is the well-known quantum flipping process…

量子物理 · 物理学 2011-07-21 Afshin Shafiee , Arash Tirandaz

A powerful control method in experimental quantum computing is the use of spin echoes, employed to select a desired term in the system's internal Hamiltonian, while refocusing others. Here we address a more general problem, describing a…

量子物理 · 物理学 2020-03-04 Gaurav Bhole , Takahiro Tsunoda , Peter J. Leek , Jonathan A. Jones

We consider an open Dicke model comprising a single infinite-component vector spin and a single-mode harmonic oscillator which are connected by Jaynes--Cummings-type interaction between them. This open quantum model is referred to as the…

量子物理 · 物理学 2021-02-03 Ryota Kyokawa , Hajime Moriya , Hiroshi Tamura

Starting from the von Neumann equation, we construct the quantum evolution equation for the effective action for systems in mixed states. This allows us to find the hierarchy of equations which describe the time evolution of equal time…

高能物理 - 理论 · 物理学 2007-05-23 Herbert Nachbagauer

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

数值分析 · 数学 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt