相关论文: Open Quantum System Approach to the Modeling of Sp…

In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…

The Liouville space spin relaxation theory equations are reformulated in such a way as to avoid the computationally expensive Hamiltonian diagonalization step, replacing it by numerical evaluation of the integrals in the generalized…

Radical pairs and the dynamics they undergo are prevalent in many chemical and biological systems. Specifically, it has been proposed that the radical pair mechanism results from a relatively strong hyperfine interaction with its intrinsic…

In this article we revisit the theory of open quantum systems from the perspective of fermionic baths. Specifically, we concentrate on the dynamics of a central spin half particle interacting with a spin bath. We have calculated the exact…

Reaction networks are a general formalism for describing collections of classical entities interacting in a random way. While reaction networks are mainly studied by chemists, they are equivalent to Petri nets, which are used for similar…

Based on recently derived exact stochastic Liouville-von Neumann equations, several strategies for the efficient simulation of open quantum systems are developed and tested on the spin-boson model. The accuracy and efficiency of these…

One of the open challenges in quantum computing simulations of problems of chemical interest is the proper enforcement of spin symmetry. Efficient quantum circuits implementing unitaries generated by spin-adapted operators remain elusive,…

We propose a formulation to obtain the line shape of a magnetic response with dissipative effects that directly reflects the nature of the environment. Making use of the fact that the time evolution of a response function is described by…

In the context of unitary evolution of a generic quantum system interrupted at random times with non-unitary evolution due to interactions with either the external environment or a measuring apparatus, we adduce a general theoretical…

We build a statistical description of fermions, taking into account the spin degree of freedom in addition to the momentum of particles, and we detail its use in the context of the kinetic theory of gases of fermions particles. We show that…

The theoretical description of the interplay between coherent evolution and chemical exchange, originally developed for magnetic resonance and later applied to other spectroscopic regimes, was derived under incorrect statistical…

It is shown that the mixed states of a closed dynamics support a reduplicated symmetry, which is reduced back to the subgroup of the original symmetry group when the dynamics is open. The elementary components of the open dynamics are…

Master equations in the Lindblad form describe evolution of open quantum systems that is completely positive and simultaneously has a semigroup property. We analyze a possibility to derive this type of master equations from an intrinsically…

The radical-pair mechanism was introduced in the 1960's to explain anomalously large EPR and NMR signals in chemical reactions of organic molecules. It has evolved to the cornerstone of spin chemistry, the study of the effect electron and…

In the kinetic theory of dense fluids the many-particle collision bracket integral is given in terms of a classical collision operator defined in the phase space. To find an algorithm to compute the collision bracket integrals, we revisit…

The so-called "phenomenological" kinetic equation for one-pair density operator for spin-selective reactions is defended. We derive this equation from the kinetic equation for density operator of all pairs which are treated as singlet and…

We present an alternative formalism for modeling spin. The ontological elements of this formalism are base-2 sequences of length $n$. The machinery necessary to model physics is then developed by considering correlations between base-2…

It is shown that coherent spin motion of electron-hole pairs localized in band gap states of silicon can influence charge carrier recombination. Based on this effect, a readout concept for silicon based solid-state spin--quantum computers…

Transition State Theory forms the basis of computing reaction rates in chemical and other systems. Recently it has been shown how transition state theory can rigorously be realized in phase space using an explicit algorithm. The…

It is shown that the existence of a time operator in the Liouville space representation of both classical and quantum evolution provides a mechanism for effective entropy change of physical states. In particular, an initially effectively…