Related papers: Heavy atom tunneling in chemical reactions: study …
Chemical potential oscillations mix individual-band frequencies of the de Haas-van Alphen (dHvA) and Shubnikov-de Haas (SdH) magneto-oscillations in canonical low-dimensional multi-band Fermi liquids. We predict a similar mixing in…
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…
In this paper, we study a nonlinear two-dimensional two-particle quantum tunnel effect with dissipation in diatomic H-H system. We use an instanton technique based on the path integral approach, and present analytical solutions, in the…
Our previous studies of dissociative recombination, and vibrational excitation/de-excitation of the BeH$^+$ ion, based on the multichannel quantum defect theory, are extended to collision energies above the dissociation threshold, taking…
A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing…
We consider two ultracold particles confined in spherically symmetric harmonic trap and interacting via isotropic potential with absorbing boundary conditions at short range that models reactive scattering. First, we apply the contact…
A hybrid model where the tunneling probability is estimated based on both sudden and adiabatic approaches has been proposed to understand the heavy ion fusion phenomena at deep sub-barrier energies. It is shown that under certain…
Fermions in an optical lattice near a wide Feshbach resonance are expected to be described by an effective Hamiltonian of the general Hubbard model with particle-assisted tunneling rates resulting from the strong atomic interaction [Phys.…
Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the…
Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH$^+$ interacting with He atoms. We further use them to investigate the quantum…
Magnetization processes of spin-1/2 layered triangular-lattice antiferromagnets (TLAFs) under a magnetic field H are studied by means of a numerical cluster mean-field method with a scaling scheme. We find that small antiferromagnetic…
The ${\rm LiHo_xY_{1-x}F_4}$ compound is widely considered to be the archetypal dipolar Quantum Ising system, with longitudinal dipolar interactions $V_{ij}^{zz}$ between ${\rm Ho}$ spins $\{i,j \}$ competing with transverse field-induced…
By using the improved Quantum Molecular Dynamics model, the $^{244}$Pu+$^{244}$Pu, $^{238}$U+$^{238}$U and $^{197}$Au+$^{197}$Au reactions at the energy range of $E_{c.m.}$=800 $MeV$ to 2000 $MeV$ are studied. We find that the production…
We study the macroscopic quantum tunneling of two weakly-linked superfluids made of interacting fermionic atoms. We derive atomic Josephson junction equations and find that zero-mode and pi-mode frequencies of coherent atomic oscillations…
Ne atoms with energies up to 3 keV are diffracted under grazing angles of incidence from a LiF(001) surface. For a small momentum component of the incident beam perpendicular to the surface, we observe an increase of the elastic rainbow…
Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW) interactions self-consistently provide a remarkably accurate…
A combined approach that uses the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) method together with the semiclassical instanton theory was developed to study vibrational tunneling spectra of…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
The H$_2$+H$_2$ system has long been considered as a benchmark system for ro-vibrational energy transfer in bimolecular collisions. However, most studies thus far have focused on collisions involving H$_2$ molecules in the ground…
Strongly interacting fermionic atoms on optical lattices are studied through a Hubbard-like model Hamiltonian, in which tunneling rates of atoms and molecules between neighboring sites are assumed to be different. In the limit of large…