Related papers: Electronic coherence dynamics in trans-polyacetyle…
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…
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…
Due to the electron correlation, a fast removal of an electron from a molecule may create a coherent superposition of cationic states and in this way initiate pure electronic dynamics in which the hole-charge left by ionization migrates…
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…
Electron transport through disordered quasi one-dimensional quantum systems is studied. Decoherence is taken into account by a spatial distribution of virtual reservoirs, which represent local interactions of the conduction electrons with…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
Short-in-time, broad-in-energy attosecond or few-femtosecond pulses can excite coherent superpositions of several electronic states in molecules. This results in ultrafast charge oscillations known as charge migration. A key open question…
Complexity in strongly correlated electron systems is analyzed by considering decoherence process between the localized state, |L> and the itinerant state, |I>. The coherent superposition state of a|I> + b|L> decoheres to the pointer states…
Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence…
Photoionization using attosecond pulses can lead to the formation of coherent superpositions of the electronic states of the parent ion. However, ultrafast electron ejection triggers not only electronic but also nuclear dynamics---leading…
The mechanism of decoherence for a quantum system with rotational degrees of freedom is studied. From a simple model of elastic scattering, we show that the non-diagonal density matrix elements of the system exponentially decay. The decay…
We introduce a theory that exposes the fundamental and previously overlooked connection between the correlation among electrons and the degree of quantum coherence of electronic states in matter. For arbitrary states, the effects only…
The induction of dc electronic transport in rigid and flexible trans-polyacetylene oligomers according to the $\omega$ vs. $2\omega$ coherent control scenario is investigated using a quantum-classical mean field approximation. The approach…
A thought experiment is discussed to clarify the concept of decoherence. Superposition of states consisting of ground state of a single hydrogen atom and its excited state after a huge amount of time is discussed to show that the…
Much of the discussion of decoherence has been in terms of a particle moving in one dimension that is placed in an initial superposition state (a Schr\"{o}dinger "cat" state) corresponding to two widely separated wave packets. Decoherence…
We study decoherence of the external degree of freedom of a tracer particle moving in a one dimensional dilute Boltzmann gas. We find that phase averaging is the dominant decoherence effect, rather than information exchange between tracer…
A new statistical model for the combined effects of decoherence, energy redistribution and dissipation on electron transport in large quantum systems is introduced. The essential idea is to consider the electron phase information to be lost…
We study the transition probability and coherence of a two-site system, interacting with an oscillator. Both properties depend on the initial preparation. The oscillator is prepared in a thermal state and, even though it cannot be…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
We review different attempts to show the decoherence process in double-slit-like experiments both for charged particles (electrons) and neutral particles with permanent dipole moments. Interference is studied when electrons or atomic…