Related papers: Deuteration removes quantum dipolar defects from K…
The path probability method (PPM) in the tetrahedron-cactus approximation is applied to the Slater-Takagi model with dipole-dipole interaction for KH2PO4-type hydrogen-bonded ferroelectric crystals in order to derive a small dip structure…
Recently, trapped dipolar gases were observed to form high density droplets in a regime where mean field theory predicts collapse. These droplets present a novel form of equilibrium where quantum fluctuations are critical for stability. So…
Quantum emitters in solid-state crystals have recently attracted a lot of attention due to their simple applicability in optical quantum technologies. The polarization of single photons generated by quantum emitters is one of the key…
Deuteron-deuteron elastic scattering and transfer reactions in the energy regime above four-nucleon breakup threshold are described by solving exact four-particle equations for transition operators. Several realistic nuclear interaction…
Quantum decoherence is seen as an undesired source of irreversibility that destroys quantum resources. Quantum coherences seem to be a property that vanishes at thermodynamic equilibrium. Away from equilibrium, quantum coherences challenge…
Employing the polarization degrees of freedom in the deuteron allows to isolate smaller than average inter-nucleon distances in the deuteron. As a result one can identify set of high $Q^2$ reactions off polarized deuteron which are…
The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the…
On this work, we consider a particle moving in front of a dielectric plate, and study two of the most relevant effects of the vacuum field fluctuations: the dissipation, and the decoherence of the particle's internal degrees of freedom. We…
Palladium is an ideal system for understanding the behavior of hydrogen in metals. In Pd, H is located both in octahedral sites and in dislocation cores, which act as nanoscale H traps and form Cottrell atmospheres. Adjacent to a…
Using classical density functional theory (DFT) in a modified mean-field approximation we investigate the fluid phase behavior of quasi-two dimensional dipolar fluids confined to a plane. The particles carry three-dimensional dipole moments…
In the crystal of K$_3$H(SO$_4)_2$, or K$_3$D(SO$_4)_2$, dimers (SO$_4)...$H$...$(SO$_4)$, or (SO$_4)...$D$...$(SO$_4)$, are linked by strong centrosymmetric hydrogen or deuterium bonds whose O$...$O length is $\approx 2.50$ {\AA}. We…
The thermodynamical properties of heterogeneous DNA sequences are computed by path integral techniques applied to a nonlinear model Hamiltonian. The base pairs relative displacements are interpreted as time dependent paths whose amplitudes…
Quantum nuclear zero-point motions in solid H$_2$ and D$_2$ under pressure are investigated at 80 K up to 160 GPa by first-principles path-integral molecular dynamics calculations. Molecular orientations are well-defined in phase II of…
Nuclear quantum effects, such as zero-point energy and tunneling, cause significant changes to the structure and dynamics of hydrogen bonded systems such as liquid water. However, due to the current inability to simulate liquid water using…
Recent experiments on trilayer transition-metal dichalcogenide heterostructures have revealed the rich behavior of dipolar excitons. Motivated by these experimental observations, we investigate the collective dynamics of planar quantum…
We present new models of the deuterium chemistry in protoplanetary disks, including, for the first time, multiply deuterated species. We use these models to explore whether observations in combination with models can give us clues as to…
We utilize single-crystal neutron diffraction to study the $C2/m$ structure of potassium hydrogen carbonate (KHCO$_3$) and macroscopic quantum entanglement above the phase transition at $T_c = 318$ K. Whereas split atom sites could be due…
We study the effect of temperature up to 1000K on the structure of dense molecular para-hydrogen and ortho-deuterium, using the path-integral Monte Carlo method. We find a structural phase transition from orientationally disordered…
We thoroughly investigate vibrational quantum dynamics of dimers attached to He droplets motivated by recent measurements with K-2 [1]. For those femtosecond pump-probe experiments, crucial observed features are not reproduced by gas phase…
The temperature-dependent effective potential (TDEP) method for anharmonic phonon dispersion is generalized to the full potential case by combining with path integral formalism. This extension naturally resolves the intrinsic difficulty in…