Related papers: A coupled-trajectory quantum-classical approach to…
We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…
Nonadiabatic transition dynamics lies at the core of many electron/hole transfer, photoactivated, and vacuum field-coupled processes. About a century after Ehrenfest proposed "Phasenraum" and the Ehrenfest theorem, we report a conceptually…
We consider the problem of energy transport in a chain of coupled quantum systems with the goal of shedding light on how nonclassical resources can affect transport. We study the cases for which either coherent or incoherent energy hopping…
The quantum reprojection method within the standard adiabatic Born-Oppenheimer approach is derived for multielectron collision systems. The method takes nonvanishing asymptotic nonadiabatic couplings into account and distinguishes…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
An alternative approach to decoherence, named non-dynamical decoherence is developed and used to resolve the quantum measurement problem. According to decoherence, the observed system is open to a macroscopic apparatus(together with a…
We propose an approximate method for evaluating the importance of non-Born-Oppenheimer effects on the quantum dynamics of nuclei. The method uses a generalization of the dephasing representation (DR) of quantum fidelity to several diabatic…
This work addresses quantum adiabatic decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system-environment…
Wave-particle duality, a fundamental principle of quantum mechanics, encapsulates the complementary relationship between the wave and particle behaviors of quantum systems. In this paper, we treat quantum coherence and classical…
Adiabatic quantum pumping in noninteracting, phase coherent quantum dots is elegantly described by Brouwer's formula. Interactions within the dot, while suppressing phase coherence, make Brouwer's formalism inapplicable. In this paper, we…
The Born-Oppenheimer approximation leads to the counterintuitive result of a vanishing electronic flux density upon vibrational dynamics in the electronic ground state. To circumvent this long known issue, we propose using pairwise…
A classical description of the dynamics of a dissipative charged-particle fluid in a quadrupole-like device is developed. It is shown that the set of the classical fluid equations contains the same information as a complex function…
The coupled-trajectory mixed quantum classical method (CTMQC), derived from the exact factorization approach, has successfully predicted photo-chemical dynamics in a number of interesting molecules, capturing population transfer and…
The spin of an electron trapped in a quantum dot is a promising candidate implementation of a qubit for quantum information processing. We study the central spin problem of the effect of the hyperfine interaction between such an electron…
A novel two-tiered organization of the microworld is presented, in which only the fundamental quantum fields of the standard model of particle physics (electrons, photons, quarks, etc.) are true quantum waves, exhibiting linear…
I review arguments demonstrating how the concept of "particle" numbers arises in the form of equidistant energy eigenvalues of coupled harmonic oscillators representing free fields. Their quantum numbers (numbers of nodes of the wave…
We consider the dynamics of interacting quantum and classical systems in the Heisenberg representation. Unlike the usual construction in standard quantum mechanics, mixed quantum-classical systems involve the interplay of unitary operators…
We develop a unified quantum geometric framework to understand reactive quantum dynamics. The critical roles of the quantum geometry of adiabatic electronic states in both adiabatic and non-adiabatic quantum dynamics are unveiled. A…
We analyze the quantum walk on a cycle using discrete Wigner functions as a way to represent the states and the evolution of the walker. The method provides some insight on the nature of the interference effects that make quantum and…
This work presents a selective review of results concerning the mathematical interface between the classical and quantum aspects encountered in problems such as the nuclear mean-field dynamics or quantum Brownian motion. It is shown that…