Related papers: Structure and thermochemistry of K$_2$Rb, KRb$_2$ …
We extend recent studies of the minimal energy packings of short flexible polymers with hard-core-like repulsions and short-range attractions to include bond-angle interactions with the aim of describing the collapsed conformations of…
The ring-polymer molecular dynamics (RPMD) was used to calculate the thermal rate coefficients of the two-channel roaming reaction H + MgH. Both reaction channels, tight and roaming, are explicitly considered. This is a pioneering attempt…
We study the manifestations of universal four-body physics in ultracold dimer-dimer collisions. We show that resonant features associated with three-body Efimov physics and dimer-dimer scattering lengths are universally related. The…
Single crystals of Rb{0.8}Fe2Se2 are successfully synthesized with the superconducting transition temperatures T_c{onset}= 31 K and T_c{zero}= 28 K. A clear anomaly of resistivity was observed in the normal state at about 150 K, as found in…
We develop a collisional formalism adapted for the dynamics of ultracold dipolar particles in a confined geometry and in fields tilted relative to the confinement axis. Using tesseral harmonics instead of the usual spherical harmonics to…
We present experimental studies of atom-ion collisions using buffer-gas cooled, trapped ytterbium (Yb$^+$) ions immersed in potassium (K) vapor. The range of the collisional temperature is on the order of several hundred kelvin (thermal…
The solid-state reaction C + H$_2$O $\rightarrow$ H$_2$CO was studied experimentally following the codeposition of C atoms and H$_2$O molecules at low temperatures. In spite of the reaction barrier and absence of energetic triggering, the…
An R-matrix model for three-body final states is presented and applied to a recent measurement of the neutron energy spectrum from the T+T->2n+alpha reaction. The calculation includes the n-alpha and n-n interactions in the final state,…
Molecular crystals possess a highly complex crystallographic landscape which in many cases results in the experimental observation of multiple crystal structures for the same compound. Accurate results can often be obtained for such systems…
The Efimov (Thomas) trimers in excited 12 C nuclei, for which no observation exists yet, are discussed by means of analyzing the experimental data of 70(64) Zn( 64 Ni) + 70(64) Zn( 64 Ni) reactions at beam energy of E/A=35MeV/nucleon. In…
Recently, Lattelais et al. (2009) have interpreted aggregated observations of molecular isomers to suggest that there exists a "minimum energy principle'', such that molecular formation will favor more stable molecular isomers for…
We present the synthesis and a detailed investigation of structural and magnetic properties of metal-organic compound Cu$_2$(IPA)$_2$(DMF)(H$_2$O) by means of x-ray diffraction, magnetization, and heat capacity measurements. Single crystals…
We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb$_2$ molecule, respectively, focusing on their ground and lowest-lying electronically excited states. Our study includes various…
We report on spectroscopic studies of hot and ultracold RbSr molecules, and combine the results in an analysis that allows us to fit a potential energy curve (PEC) for the X(1)$^2\Sigma^+$ ground state bridging the short-to-long-range…
Crystal structure, electronic state of Ir$^{4+}$, and magnetic properties of the antifluorite compound K$_2$IrBr$_6$ are studied using high-resolution synchrotron x-ray diffraction, resonant inelastic x-ray scattering (RIXS), thermodynamic…
We show that the local crystal-field symmetry of ErBr$_3$ enforces $\langle \psi_\pm | J^{\pm} | \psi_\mp \rangle = 0$ within the ground-state Kramers doublet, thereby removing the lowest-order transverse channel from the low-energy sector.…
Suspended specimens of 2D crystals and their heterostructures are required for a range of studies including transmission electron microscopy (TEM), optical transmission experiments and nanomechanical testing. However, investigating the…
We present an interaction modeling for the relativistic spin-0 charged particles moving in a uniform magnetic field. In the absence of an improved perturbative way, we solve directly Kummer's differential equation including principal…
We performed a search for three-quasiparticle high-$K$ isomer candidates in odd-even Md - Rg nuclei by considering the lowest lying 1$\pi$2$\nu$ and 3$\pi$ excitations. Our approach involves calculating the energies of different nuclear…
Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It has recently been discovered that low-temperature calculations are strongly affected by the simulation parameters. Here, for…