Related papers: Transition from molecular complex to quantum solva…
We present results of a theoretical study of para-hydrogen and ortho-deuterium clusters at low temperature (0.5 K < T < 3.5 K), based on Path Integral Monte Carlo simulations. Clusters of size up to N=21 para-hydrogen molecules are nearly…
Energy transfer through quantum coherences plays an essential role in diverse natural phenomena and technological applications, such as human vision, light-harvesting complexes, quantum heat engines, and quantum information and computing.…
Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the…
Reliable processing of quantum information for developing quantum technologies requires precise control of out-of-equilibrium many-bodysystems. This is a highly challenging task as the fragility of quantum states to external perturbations…
We employ holographic techniques to study quantum quenches at finite temperature, where the quenches involve varying the coupling of the boundary theory to a relevant operator with an arbitrary conformal dimension $2\leq\D\leq4$. The…
Molecular dynamics simulations for aqueous sodium chloride solutions were carried out at various concentrations. Supplementary to the Debye-H\"uckel theory, reversible transient nucleation of ions was observed even in dilute solutions. The…
A collective bands of positive and negative parity could be composed of the vibrations and rotations. The rotations of the octupole configurations can be based either on the axial or the non-axial octupole vibrations. A consistent approach…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…
We have performed a microscopic study of a straight quantized vortex line in three dimensions in condensed $^4$He at zero temperature using the Shadow Path Integral Ground State method and the fixed-phase approximation. We have…
The "soft dipole" E1 strength function is calculated for the transition from the $^{6}$He $0^+$ ground state to the $1^-$ continuum $^{4}$He+$n$+$n$. The calculations were performed within the hyperspherical harmonics formalism. The…
We study the hopping transport of a quantum particle through finite, randomly diluted percolation clusters in two dimensions. We investigate how the transmission coefficient T behaves as a function of the energy E of the particle, the…
Superfluidity, liquid flow without friction, is familiar in helium. The first evidence for "supersolidity", its analogue in quantum solids, came from recent torsional oscillator (TO) measurements involving 4-He. At temperatures below 200…
In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…
We adopt a three-level bosonic model to investigate the quantum phase transition in an ultracold atom-molecule conversion system which includes one atomic mode and two molecular modes. Through thoroughly exploring the properties of energy…
Using a free-running distributed-feedback quantum cascade laser (QCL) emitting at 9.54 $\mu$m, the pressure shift parameters of four intense rovibrational transitions in the $\nu_3$ fundamental band of ozone induced by oxygen (O$_2$), air…
Phase transitions (liquid-solid, solid-solid) triggered by temperature changes are studied in free nanosized clusters of TeF_6 (SF_6) with different negative charges assigned to the fluorine atoms. Molecular dynamics simulations at constant…
A quantum phase transition that was recently observed in a high-mobility silicon MOSFET is analyzed in terms of a scaling theory. The most striking characteristic of the transition is a divergence of the thermopower, according to an inverse…
Using APEX-1 and APEX-2 observations, we have detected and studied the rotational lines of the HC$_3$N molecule (cyanoacetylene) in the powerful outflow/hot molecular core G331.512-0.103. We identified thirty-one rotational lines at $J$…
A Kinetic Monte Carlo (KMC) model was created to simulate the insertion of transmutation He atoms into nanostructured ferritic alloys (NFAs) under neutron irradiation. Interstitial He atoms migrate through the NFA until becoming trapped in…