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Chemical kinetics and stochastic differential equations

2023/01/12 by Chiara Pezzotti, Pezzotti, Chiara, Massimiliano Giona +1
Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Quantum Mechanics and Applications #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.2301.05072

Abstract

We propose a general stochastic formalism for describing the evolution of chemical reactions involving a finite number of molecules. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and provides the formal setting for the existing algorithmic approaches (Gillespie algorithm). Some practical advantages of this formulation are addressed, and several examples are discussed pointing out the connection with quantum transitions (radiative interactions).

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