Related papers: Deuteration removes quantum dipolar defects from K…
A discrete time crystal (DTC) is the paradigmatic example of a phase of matter that occurs exclusively in systems out of equilibrium. This phenomenon is characterized by the spontaneous symmetry breaking of discrete time-translation and…
We investigate the impact of the quantum effects of protons on the electronic structure of high-pressure H$_3$S, a benchmark hydrogen-rich superconductor with a critical temperature ($T_c$) exceeding 200 K. Using Nuclear-Electronic Orbital…
The differential cross section and the polarization observables for $\Delta $--isobar production in the deuteron electrodisintegration process, $e^-+d\to e^-+\Delta +N$, are calculated in a general formalism based on structure functions.…
We consider the ground state properties of a trapped dipolar condensate under the influence of quantum fluctuations. We show that this system can undergo a phase transition from a low density condensate state to a high density droplet…
The Hohenberg-Kohn (HK) theorem -- the bedrock of density functional theory (DFT) -- establishes a universal map from the external potential to the energy. It also relates the electron density and atomic forces to the variation of the…
Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom-tunneling can be indirectly detected by temperature-independent rate constants at low temperature…
Details of the Fermi-surface topology of deuterated $\kappa$-(BEDT-TTF)$_2$Cu(NCS)$_2$ ~have been measured as a function of pressure, and compared with equivalent measurements of the undeuterated salt. We find that the superconducting…
Extremely large deuteration of several molecules has been observed towards prestellar cores and low-mass protostars for a decade. New observations performed towards low-mass protostars suggest that water presents a lower deuteration in the…
Phase I of hydrogen has several peculiarities. Despite having a close-packed crystal structure, it is less dense than either the low temperature Phase II or the liquid phase. At high pressure, it transforms into either phase III or IV,…
We study the dynamics of a quantum particle in a constricted two-dimensional channel and analyze how the onset of quantum corrections impacts the (semi-)classical high-temperature behaviour, as temperature is lowered. We characterize both…
We present the modeling results of deuterium fractionation of water ice, H2, and the primary deuterium isotopologues of H3+ adopting physical conditions associated with the star and planet formation process. We calculated the deuterium…
Effect of L-threonine (LT) doping on crystalline perfection, second harmonic generation (SHG) efficiency, optical transparency and laser damage threshold (LDT) in potassium dihydrogen phosphate (KDP) crystals grown by slow evaporation…
Quantum interference between multiple pathways in molecular photodissociation often results in angular momentum polarization of atomic products and this can give deep insight into fundamental physical processes. For dissociation of diatomic…
We examine the robustness of single-molecule tunneling diodes to thermal-environmental effects. The diode comprises three fragments: two different conjugated chemical groups at the boundaries, and a saturated moiety in between, breaking…
We report first principles modeling of quantum tunneling through amorphous HfO$_2$ dielectric layer of metal-oxide-semiconductor (MOS) nanostructures in the form of n-Si/HfO$_2$/Al. In particular we predict that chemically modifying the…
Polarization properties of high energy photodisintegration of the deuteron are studied within the framework of the hard rescattering mechanism~(HRM). In HRM, a quark of one nucleon knocked-out by the incoming photon rescatters with a quark…
The quantum tunneling process of decay of the composite particle in the de Sitter vacuum looks as thermal radiation with the effective temperature twice larger than the Hawking temperature associated with the cosmological horizon.
Depletion interactions arise from entropic forces, and their ability to induce aggregation and even ordering of colloidal particles through self-assembly is well established, especially for spherical colloids. We vary the size and…
We establish that two-dimensional dipolar quantum gases admit a universal description, i.e., their thermodynamic properties are independent of details of the interaction at short distances. The only relevant parameters are the dipole length…
The four-electron oxygen reduction reaction on Pt catalyst in alkaline solution undergoes proton transfer via tunneling mechanism. The hydrogen/deuterium kinetic isotopic rate constant ratio (kH/kD ) = 32 in a low overpotential region,…