Related papers: Influence of conformational molecular dynamics on …
The temperature-induced structural and electronic transformation in VO$_2$ between the monoclinic M1 and tetragonal rutile phases was studied by means of \textit{ab initio} molecular dynamics, based on density functional theory with Hubbard…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
We show that single and multislit experiments involving matter waves may be constructed to assess correlations between the position and momentum of a single free particle. These correlations give rise to position dependent phases which…
High contrast matter-wave interferometry is essential in various fundamental quantum mechanical experiments as well as for technical applications. Thereby, contrast and sensitivity are typically reduced by decoherence and dephasing effects.…
A new technique for maintaining high contrast in an atom interferometer is used to measure large de Broglie wave phase shifts. Dependence of an interaction induced phase on the atoms' velocity is compensated by applying an engineered…
The properties of a strongly interacting quark plasma are investigated by molecular dynamics method including non-abelian quark-quark potential. Our main goal is to study the thermalization process in this system. We find an interesting…
We show that a ferro-electric quantum phase transition can be driven by the dipolar interaction of polar molecules in the presence a micro-wave field. The obtained ferro-electricity crucially depends on the harmonic confinement potential,…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets. The application to the description of atomic nuclei and collisions between them…
This study investigates the potential impact of intramolecular excitations on the active regions of biomolecular chains, which may play a role in physiological processes within living cells. We assumed that an excitation localized in a…
In presence of dissipation, quantal states may acquire complex-valued phase effects. We suggest a notion of dissipative interferometry that accommodates this complex-valued structure and that may serve as a tool for analyzing the effect of…
In this review chapter we focus on the many-body dynamics of cold polar molecules in the strongly interacting regime. In particular, we discuss a toolbox for engineering many-body Hamiltonians based on the manipulation of the electric…
Torsional-space Monte Carlo simulations of flexible molecules are usually based on the assumption that all values of dihedral angles have equal probability in the absence of atomic interactions. In the present paper it is shown that this…
We introduce a new theoretical framework based on Feynman diagrams to compute phase shifts in matter wave interferometry. The method allows for analytic computation of higher order quantum corrections, beyond the traditional semi-classical…
The past few decades have seen dramatic progress in our ability to manipulate and coherently control matter-waves. Although the duality between particles and waves has been well tested since de Broglie introduced the matter-wave analog of…
The reactivity of fusion plasma depends not only on its local density and temperature but also, through a recently identified kinetic effect, on the relative velocities of nearby fluid elements. Turbulence on fine spatial scales therefore…
Spatial interferometry, based on the measurement of total absorbed power, can be used to determine the state of coherence of the electromagnetic field to which any energy-absorbing structure is sensitive. The measured coherence tensor can…
The structural dynamics of macromolecules is important for most microbiological processes, from protein folding to the origins of neurodegenerative disorders. Noninvasive measurements of these dynamics are highly challenging. Recently,…
Light-matter interaction dynamics is governed by the strength of local coupling constants, tailored by surrounding electromagnetic structures. Characteristic decay times in dipole-allowed fluorescent transitions are much faster than…
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…