Related papers: Lessons on electronic decoherence in molecules fro…
We discuss the various manifestations of quantum decoherence in the forms of dephasing, entanglement with the environment, and revelation of "which-path" information. As a specific example, we consider an electron interference experiment.…
Electronic coherences can be leveraged to control molecular dynamics, but such control is limited by ultrafast decoherence driven by coupling between electronic excitations and molecular vibrations. With the goal of understanding and…
A controlled decoherence environment is studied experimentally by free electron interaction with semiconducting and metallic plates. The results are compared with physical models based on decoherence theory to investigate the…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
We study the interaction of a two-level atom and two fields, one of them classical. We obtain an effective Hamiltonian for this system by using a method recently introduced that produces a small rotation to the Hamiltonian that allows to…
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of \emph{trans}-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the…
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…
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…
A Bose-Hubbard Hamiltonian, modeling cold bosons in an optical lattice, is used to simulate the dynamics of interacting open quantum systems as subsystems a larger closed system, avoiding complications like the introduction of baths,…
The processes of radiation damping and decoherence in Quantum Electrodynamics are studied from an open system's point of view. Employing functional techniques of field theory, the degrees of freedom of the radiation field are eliminated to…
An "almost diagonal" reduced density matrix (in coordinate representation) is usually a result of environment induced decoherence and is considered the sign of classical behavior. We point out that the proton of a ground state hydrogen atom…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
We study decoherence induced on a two-level system coupled to a one-dimensional quantum spin chain. We consider the cases where the dynamics of the chain is determined by the Ising, XY, or Heisenberg exchange Hamiltonian. This model of…
Despite their rich information content, electronic structure data amassed at high volumes in $ab$ $initio$ molecular dynamics simulations are generally under-utilized. We introduce a transferable high-fidelity neural network representation…
The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…
Decoherence of a quantum system induced by the interaction with its environment (measuring medium) may be presented phenomenologically as a continuous (or repeated) fuzzy quantum measurement. The dynamics of the system subject to continuous…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
A popular model of decoherence based on the linear coupling to harmonic oscillator heat baths is analized and shown to be inappropriate in the regime where decoherence dominates over energy dissipation, called pure decoherence regime. The…
The quantum dynamics of electron-nuclear systems is analyzed from the perspective of the exact factorization of the wavefunction, with the aim of defining gauge invariant equations of motion for both the nuclei and the electrons. For pure…
We characterize both entanglement and quantum coherence in a molecular system by connecting the linear entropy of electronic-nuclear entanglement with Wigner-Yanase skew information measuring vibronic coherence and local quantum uncertainty…