Related papers: Deuteration removes quantum dipolar defects from K…
Kinetic isotope effect (KIE) is a common physicochemical effect to elucidate complicated microscopic reaction mechanism in biological, chemical and physical systems. Especially, the exchange of hydrogen to deuterium is a standard approach…
The differential cross section, the tensor analyzing power, $T_{20}$, and the polarization transfer, $\kappa_0$, in $^{12}C(d,p)$ breakup at relativistic energy are calculated within a model which incorporates multiple scattering and Pauli…
In this work we show that the molecular chemical bond formation and dissociation in presence of the d-band of a metal catalyst can be described as a Quantum Dynamical Phase Transition (QDPT). This agree with DFT calculations that predict…
We study thermal conductance and thermopower of a metallic single-electron transistor beyond the limit of weak tunnel coupling. Employing both a systematic second-order perturbation expansion and a non-perturbative approximation scheme, we…
Practical implementations of quantum technology are limited by unavoidable effects of decoherence and dissipation. With achieved experimental control for individual atoms and photons, more complex platforms composed by several units can be…
The proton dynamics of a 2D water monolayer confined inside a graphene slit pore is studied in Cartesian and molecular frames of reference using molecular dynamics simulations. The vibrational density of states of the proton was calculated…
Usually one finds that dissipation tends to make a quantum system more classical in nature. In this paper we study the effect of momentum dissipation on a quantum system. The momentum of the particle is coupled bilinearly to the momenta of…
Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature…
Resonant tunneling through identical potential barriers is a textbook problem in quantum mechanics. Its solution yields total transparency (100% tunneling) at discrete energies. This dramatic phenomenon results from coherent interference…
We show that two-dimensional systems of deformable particles undergo a continuous liquid-hexatic transition upon compression or cooling, but no hexatic-solid transition-even at zero temperature and high density. Numerical simulations reveal…
As a physically motivated and computationally simple model for cold atomic and molecular collisions, the multichannel quantum defect theory (MQDT) with frame transformation (FT) formalism provides an analytical treatment of scattering…
Scattering by slowly fluctuating degrees of freedom can cause a transient localization of the current-carrying electrons in metals, driving the system away from normal metallic behavior. We illustrate and characterize this general…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
Polar metals are an underexplored material class combining two properties that are typically incompatible, namely a polar crystal structure and reasonable electrical conductivity. These intriguing materials offer a unique combination of…
The mesoscopic Stoner instability is an intriguing manifestation of symmetry breaking in isolated metallic quantum dots, underlined by the competition between single-particle energy and Heisenberg exchange interaction. Here we study this…
The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase…
We describe the mechanism of charge-spin transformation in a double quantum dot (DQD) with even occupation, where a time dependent gate voltage v(t) is applied to one of its two valleys, whereas the other one is coupled to the source and…
In projected descriptions of quantum dynamics, the importance of an eliminated degree of freedom is routinely assessed by deleting it and measuring the system's response. This conflates two effects: the channel's intrinsic contribution and…
In a recent work, Le Hur has shown that dissipative coupling to gate electrodes may play an important role in a quantum box near its degeneracy point [K. Le Hur, Phys. Rev. Lett. {\bf 92}, 196804 (2004)]: While quantum fluctuations of the…
A full quantum theory beyond the mean-field regime is developed for an exciton polariton condensate, to gain a complete understanding of quantum fluctuations. We find analytical solution for the polariton density matrix, showing the…