Related papers: Towards Quantitative Reaction Dynamics of O3
The total atomization energy of a molecule is the thermochemical cognate of the heat of formation in the gas phase, its most fundamental thermochemical property. We decompose it into different components and provide a survey of them. It…
We study the dynamics of a quantum particle coupled to dissipative (ohmic) environments, such as an electron liquid. For some choices of couplings, the properties of the particle can be described in terms of an effective mass. A particular…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30--900 K) and external…
The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy surface (PES) of Bian and Werner (Bian, W.; Werner, H. -J., J. Chem. Phys. 2000, 112, 220). A time-dependent wave packet approach was…
The balance function, which measures the correlation between opposite sign charge pairs, is sensitive to the mechanisms of charge formation and the subsequent relative diffusion of the balancing charges. The study of the balance function…
Accurate potential energy surfaces (PESs) have been determined for the $^3$A$'$ and $^3$A$''$ states of N$_2$O using electronic structure calculations at the multireference configuration interaction level with Davidson correction (MRCI+Q)…
Photoproduction off protons of the $p\pi^0\eta$ three-body final state was studied with the Crystal Barrel/TAPS detector at the electron stretcher accelerator ELSA at Bonn for incident energies from the $\pi^0\eta$ production threshold up…
Cold collisions of $^{14}$N$^{16}$O molecules in the $^{2}\Pi_{1/2}$ ground state, subject to electric and magnetic fields, are investigated. It is found that elastic collision rates significantly exceed state-changing inelastic rates only…
Experimental data on total and differential elastic cross sections for $p+p(\bar{p})$, $n+p(\bar{p})$, $K^\pm+p$, $K^\pm+n$, $\pi^\pm+p$ starting from energy 3.5 GeV in CMS are used to determine parameters of vacuum contribution and…
The medium-temperature $T$ dependence of the jet transport coefficient $\hat q$ was studied via the nuclear modification factor $R_{AA}(p_{\rm T})$ and elliptical flow parameter $v_2(p_{\rm T})$ for large transverse momentum $p_{\rm T}$…
Friction coefficients for the fusion reaction $^{16}$O+$^{16}$O $\rightarrow$ $^{32}$S are extracted based on both the time-dependent Hartree-Fock and the time-dependent density matrix methods. The latter goes beyond the mean-field…
We have measured 16O(p,d) reaction using 198-, 295- and 392-MeV proton beams to search for a direct evidence on the effect of the tensor interactions in light nucleus. Differential cross sections of the one-neutron transfer reactions…
Ultrawide bandgap semiconductor $\beta$-Ga2O3 holds extensive potential for applications in high-radiation environments. One of the primary challenges in its practical application is unveiling the mechanisms of surface irradiation damage…
Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been…
The pp -> ppK+K- reaction was measured below the phi threshold at a beam energy of 2.568 GeV using the COSY-ANKE magnetic spectrometer. By assuming that the four-body phase space is distorted only by the product of two-body final state…
The triple-\alpha reaction rate is re-evaluated by directly solving the three-body Schr\"odinger equation. The resonant and nonresonant processes are treated on the same footing using the continuum-discretized coupled-channels method for…
We develop the formalism based on the S-matrix for $3 \to 3$ scattering to derive the direct three-body resonant radiative capture reaction rate. Within this formalism the states, which decay only/predominantly directly into three-body…
Charge-exchange reactions are an important tool for determining weak-interaction rates. They provide stringent tests for nuclear structure models necessary for modeling astrophysical environments such as neutron stars and core-collapse…
Using the four-body Alt-Grassberger-Sandhas (AGS) equations for the \( K^{-}ppn \) system, we investigate the possible formation of a \( K^{-}pp \) quasi-bound state through the low-energy \( K^{-} + {}^{3}\mathrm{He} \) reaction. The…