Related papers: Mixed quantum-classical approach to model non-adia…
Free classical particles have well-defined momentum and position, while free quantum particles have well-defined momentum but a position fully delocalized over the sample volume. We develop a many-body formalism based on wave-packet…
The H\"uckel Hamiltonian is an incredibly simple tight-binding model famed for its ability to capture qualitative physics phenomena arising from electron interactions in molecules and materials. Part of its simplicity arises from using only…
Ultrafast optical techniques allow to study ultrafast molecular dynamics involving both nuclear and electronic motion.To support interpretation, theoretical approaches are needed that can describe both the nuclear and electron…
We demonstrate that with a stepwise introduction of complexity to a model of an electron system embedded in a photonic cavity and a carefully controlled stepwise truncation of the ensuing many-body space it is possible to describe the…
Preserving quantum coherence with the increase of a system's size and complexity is a major challenge. Molecules, with their diverse sizes and complexities and many degrees of freedom, are an excellent platform for studying the transition…
The eigenspectrum of a non-normal matrix, which does not commute with its Hermitian conjugate, is a central issue of non-Hermitian physics that has been extensively studied in the past few years. There is, however, another characteristic of…
Molecular spins are promising candidates for quantum information science, leveraging coherent electronic spin states for quantum sensing and computation. However, the practical application of these systems is hindered by electronic spin…
Using random matrices, we study the reduced dynamics of a two level system interacting with a generic environment. In the weak coupling limit, the result can be obtained directly from known results for purity decay, and result in Markovian…
We develop and experimentally demonstrate a methodology for a full molecular frame quantum tomography (MFQT) of dynamical polyatomic systems. We exemplify this approach through the complete characterization of an electronically…
We derive equations for the strongly coupled system of light and dense atomic ensembles. The formalism includes an arbitrary internal level structure for the atoms and is not restricted to weak excitation of atoms by light. In the low light…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
The quantum master equation (QME), used to describe the Markov process of interaction between atoms and field, has a number of significant drawbacks. It is extremely memory intensive, and also inapplicable to the case of long-term memory in…
To model momentum exchange in nonlinear wave-particle interaction, as in amplification devices like traveling-wave tubes, we use an $N$-body self-consistent hamiltonian description based on Kuznetsov's discrete model, and we provide new…
Non-classical resources enable measurements to achieve a precision that exceeds the limits predicted by the central limit theorem. However, environmental noise arising from system-environment interactions severely limits the performance of…
An extended variational principle providing the equations of motion for a system consisting of interacting classical, quasiclassical and quantum components is presented, and applied to the model of bilinear coupling. The relevant dynamical…
In our recent work (J. Phys. Chem. Lett. 2023, 14, 7680), we utilized the exact quantum dynamics results as references and proposed a general machine learning method to obtain the optimal decoherence time formula for surface hopping…
We describe the decoherence process induced on a two-level quantum system in direct interaction with a non-equilibrium environment. The non-equilibrium feature is represented by a non-stationary random function corresponding to the…
In open quantum systems decoherence occurs through interaction of a quantum subsystem with its environment. The computation of expectation values requires a knowledge of the quantum dynamics of operators and sampling from initial states of…
We prove that for a combined system of classical and quantum particles, it is possible to write a dynamics for the classical particles that incorporates in a natural way the Boltzmann equilibrium population for the quantum subsystem. In…
A $\mathcal{PT}$-symmetric, non-Hermitian Hamiltonian in the $\mathcal{PT}$-unbroken regime can lead to unitary dynamics under the appropriate choice of the Hilbert space. The Hilbert space is determined by a Hamiltonian-compatible inner…