Related papers: Deriving the exact nonadiabatic quantum propagator…
Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed…
Accurate derivatives are important for efficiently locally traversing and converging in quantum optimization landscapes. By deriving analytically exact control derivatives (gradient and Hessian) for unitary control tasks, we show here that…
We systematically derive the quantum kinetic equation in full phase space for any quadratic hamiltonian of bosonic fields, including in the absence of translational invariance. This enables the treatment of boundaries, inhomogeneous systems…
I propose a new and direct connection between classical mechanics and quantum mechanics where I derive the quantum mechanical propagator from a variational principle. This variational principle is Hamilton's modified principle generalized…
We study the perturbative response of a complex quantum system on time changes of an external parameter $X$. The driven dynamics is treated in adiabatic basis of the system's Hamiltonian $\hat{H}[X]$. Within a random matrix approach we…
A direct comparison of quantum and classical dynamical systems can be accomplished through the use of distribution functions. This is useful for both fundamental investigations such as the nature of the quantum-classical transition as well…
Classical-like formulas are given in order to evaluate thermal averages of observables belonging to a quantum nonlinear system with dissipation described by the Caldeira-Leggett model [Phys. Rev. Lett. 46, 211 (1981); Ann. Phys. (N.Y.) 149,…
There has been rapid development of systems that yield strong interactions between freely propagating photons in one dimension via controlled coupling to quantum emitters. This raises interesting possibilities such as quantum information…
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states…
Accurate and efficient simulation of nonadiabatic dynamics is highly desirable for understanding charge and energy transfer in complex systems. A key criterion for obtaining an accurate method is conservation of the Quantum Boltzmann…
A numerically exact Monte Carlo scheme for calculation of open quantum system dynamics is proposed and implemented. The method consists of a Monte-Carlo summation of a perturbation expansion in terms of trajectories in Liouville phase-space…
We present a new paradigm for the dynamical simulation of interacting many-boson open quantum systems. The method relies on a variational ansatz for the $n$-boson density matrix, in terms of a superposition of photon-added coherent states.…
In this paper we present a new quantum-trajectory based treatment of quantum dynamics suitable for dissipative systems. Starting from a de Broglie/Bohm-like representation of the quantum density matrix, we derive and define quantum…
We present a general approach to the classical dynamical systems simulation. This approach is based on classical systems extension to quantum states. The proposed theory can be applied to analysis of multiple (including non-Hamiltonian)…
Coherent state functional integral for the minisuperspace model of loop quantum cosmology is studied. By the well-established canonical theory, the transition amplitude in the path integral representation of loop quantum cosmology with…
Atomistic simulations with methods such as molecular dynamics are extremely powerful tools to understand nanoscale dynamical behavior. The resulting trajectories, by the virtue of being embedded in a high-dimensional configuration space,…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
A nonlinear quantum-classical transition wave equation is proposed for dissipative systems within the Caldirola-Kanai model. Equivalence of this transition equation to a scaled Schr\"{o}dinger equation is proved. The dissipative dynamics is…
We consider the simplest example of a nonstationary quantum system which is quantum mechanical oscillator with varying frequency and $\lambda \phi^4$ self-interaction. We calculate loop corrections to the Keldysh, retarded/advanced…
A generalization of canonical quantization which maps a dynamical operator to a dynamical superoperator is suggested. Weyl quantization of dynamical operator, which cannot be represented as Poisson bracket with some function, is considered.…