Related papers: On the universality of spectroscopic constants of …
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…
We present two pieces of evidence in support of the conjecture that the microscopic spectral density of the Dirac operator is a universal quantity. First, we compare lattice data to predictions from random matrix theory. Second, we show…
We study nuclear symmetry energy of dense matter using holographic QCD. We calculate it in a various holographic QCD models and show that the scaling index of the symmetry energy in dense medium is almost invariant under the smooth…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
We use numerically exact quantum dynamics calculations to demonstrate universal stereoselectivity of cold collisions of $^2\Pi$ molecules with $^1$S-state atoms in an external electric field. We show that cold collisions of OH molecules in…
Atom-dimer scattering below the three-body break-up threshold is studied for a system of three identical bosons. The atom-dimer scattering length and the energy of the most weakly-bound three-body state are shown to be strongly correlated.…
We use ab initio electronic-structure methods to investigate random-matrix theory (RMT) universality in molecular electronic structure. Using single-reference electronic structure methods, including Hartree-Fock, configuration-interaction…
The interaction between vortex beam (VB) and molecule has drawn much attention in recent years, but the lack of theoretical method somehow limits its further analysis, especially when the molecular rotational degree of freedom is involved…
Recently it has been shown that pairs of atoms can form metastable bonds due to non-conservative forces induced by dissipation [Lemeshko&Weimer, Nature Comm. 4, 2230 (2013)]. Here we study the dynamics of interaction-induced coherent…
The range of motion of a particle with certain energy $E$ confined in a potential is determined from the energy conservation law in classical mechanics. The counterpart of this question in quantum mechanics can be regarded as what the…
The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features…
In this study, we explore the potential of machine learning for modeling molecular electronic spectral intensities as a continuous function in a given wavelength range. Since presently available chemical space datasets provide excitation…
Weakly bound molecules have physical properties without atomic analogues, even as the bond length approaches dissociation. In particular, the internal symmetries of homonuclear diatomic molecules result in formation of two-body superradiant…
A functional renormalisation group study for the BEC-BCS crossover for ultracold gases of fermionic atoms is presented. We discuss the fixed point which is at the origin of universality for broad Feshbach resonances. All macroscopic…
The vibrational dynamics of adsorbate molecules in single-molecule junctions depend critically on the geometric structure and electronic interactions between molecule and substrate. Vibrations, excited mechanochemically or by external…
We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first principles lattice dynamics using periodic…
It is well-known that the dynamical spectrum of an ergodic measure dynamical system is related to the diffraction measure of a typical element of the system. This situation includes ergodic subshifts from symbolic dynamics as well as…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
Atomic-scale variations in semiconductor heterostructures, arising from strain, interfaces, and compositional modulation, strongly influence electronic band dispersion but remain difficult to probe and compare using first-principles methods…