Related papers: A four-dimensional potential energy surface for th…
The fusion of $\alpha$ and $^8$Be to produce a $^{12}$C nucleus is a crucial process in nucleosynthesis. In the laboratory, this process can only be studied theoretically as a $^8$Be target or projectile cannot be prepared experimentally.…
We calculate the quartet potential energy surface for Li+NH and use it to calculate elastic and spin-relaxation cross sections for collisions in magnetically trappable spin-stretched states. The potential is strongly anisotropic but…
Energy of elementary excitations and the anomalous nature of small Q phonons in He-II are studied by using our macro-orbital microscopic theory of a system of interacting bosons (cond-mat/0606571). It is observed that : (i) the experimental…
Absolute dissociation cross sections are reported for Hn+ clusters of varied mass (n = 3, 5, ..., 35) following collisions with He atoms at 60 keV / amu. Initial results have been published in a previous brief report for a smaller range of…
Equilibration dynamics of hot oxygen atoms following O2 dissociation on Pd(100) and Pd(111) surfaces are investigated by molecular dynamics simulations based on a scalable neural network potential enabling first-principles description of O2…
Despite well documented first-principles theoretical determination of the low migration energy (0.06 eV) of a single He in tungsten, fully quantum mechanical calculations on the migration of a He pair still present a challenge due to the…
We perform Low Energy Ion Scattering with He ions ranging in energy from 1 keV to 3 keV on CaSiO$_3$ using a commercial electrostatic detector system and determine the charge fraction of scattered ions from comparison with Binary Collision…
Accurate intermolecular potential-energy surfaces (IPESs) for the ground and first excited states of the Sr-H$_2$ and Yb-H$_2$ complexes were calculated. After an extensive methodological study, the CCSD(T) method with the…
The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are…
We present a combined experimental and theoretical investigation of the 193 nm photolysis of the cyano-ester, methyl cyanoformate (MCF). Specifically, nanosecond time-resolved infrared emission spectroscopy was used to monitor the…
We consider the high-density-limit correlation energy $\Ec$ in $D \ge 2$ dimensions for the $^1S$ ground states of three two-electron systems: helium (in which the electrons move in a Coulombic field), spherium (in which they move on the…
We study the KN interactions in the I(J^{\pi})=0(1/2^-) and 1(1/2^-) channels and associated exotic state \Theta^+ from 2+1 flavor full lattice QCD simulation for relatively heavy quark mass corresponding to m_{\pi}=871 MeV. The s-wave KN…
The new data of the elastic scattering of $^{6}$He+$^{12}$C at about 40 MeV/nucleon are analyzed in the eikonal approximation. The $^{6}$He+$^{12}$C phase-shift function is evaluated completely without any {\it ad hoc} assumption by a Monte…
This paper presents a fully-corrected measurement of the energy-energy correlator (EEC) within jets in pp collisions. The EEC traces the energy flow as a highly energetic parton undergoes a QCD shower followed by the confinement of partons…
The complete second-order hyperfine-interaction correction is calculated for centroid energy levels of H, D, and $^3$He atoms. For $^3$He, the corrections of $-2.075$~kHz and $-0.305$~kHz beyond the leading hyperfine-mixing contribution are…
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…
The mutual neutralization of H^+ and H^- ions at low collision energies is studied by means of a molecular close-coupling approach. All degrees of freedom are treated at the full quantum level taking into account also the identity of the…
Binding energies and density profiles of two-dimensional systems of liquid He-4 with different geometries are studied by means of a zero-range density functional adjusted to reproduce the line tension obtained in a previous diffusion Monte…
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…
The potential energy of a deformed nucleus has been determined within a Generalized Liquid Drop Model taking into account the proximity energy, the microscopic corrections and compact and necked shapes. Multiple-humped potential barriers…