Related papers: Heavy atom tunneling in chemical reactions: study …
This last Part IV is aimed at deriving relaxation rates (times) of an off-center Li+ impurity. We follow Christov's reaction rate method to define general rate equations in terms of the exact Mathieu eigenvalues, as well as of…
Fundamental entanglement related challenges have prevented quantum interference-based control (i.e. coherent control) of collisional cross sections from being implemented in the laboratory. Here, differential cross sections for reactive…
We calculated reaction rate constants including atom tunneling of the reaction of dihydrogen with the hydroxy radical down to a temperature of 50 K. Instanton theory and canonical variational theory with microcanonical optimized…
We have carried out the first quantum dynamics calculations on ultracold atom-diatom collisions in isotopic mixtures. The systems studied are spin-polarized 7Li + 6Li7Li, 7Li + 6Li2, 6Li + 6Li7Li and 6Li + 7Li2. Reactive scattering can…
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…
It has recently become possible to form molecules in ultracold gases of trapped alkali metal atoms. Once formed, the molecules may undergo elastic, inelastic and reactive collisions. Inelastic and reactive collisions are particularly…
We present realistic multiband calculations of scanning tunneling spectra in Bi_{2}Sr_{2}CaCu_{2} O_{8+\delta} over a wide doping range. Our modeling incorporates effects of a competing pseudogap and pairing gap as well as effects of strong…
Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD ($v=1, \…
We study the effect of resonances near the threshold of low energy ($\varepsilon$) reactive scattering processes, and find an anomalous behavior of the $s$-wave cross sections. For reaction and inelastic processes, the cross section…
Method: To examine signatures of this alpha-condensation, a compound nucleus reaction using 160, 280, and 400 MeV 16O beams impinging on a carbon target was used to investigate the 12C(16O,7a) reaction. This permits a search for…
Rate coefficients for inelastic collisions between Li and H atoms covering all transitions between the asymptotic states Li(2s,2p,3s,3p,3d,4s,4p,4d,4f)+H(1s) and Li^+ +H^- are presented for the temperature range 2000-8000 K based on recent…
A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension…
In this work we investigate 1+2 reactions within the framework of the hyperspherical adiabatic expansion method. To this aim two integral relations, derived from the Kohn variational principle, are used. A detailed derivation of these…
We investigate the pre-equilibrium dipole response in the charge-asymmetric reaction $^{40}$Ca+$^{152}$Sm, of recent experimental interest, at several beam energies within the range $[5, 11]$ AMeV and different collision centralities. By…
Investigating how formamide forms in the interstellar medium is a hot topic in astrochemistry, which can contribute to our understanding of the origin of life on Earth. We have constructed a QM/MM model to simulate the hydrogenation of…
We investigate heavy-ion multinucleon transfer reactions using the coupled-channels formalism. We first use the semi-classical approximation and show that a direct coupling between the entrance and the pair transfer channels improves a fit…
The general character of 4-quark (mesonic) and strange 6-quark (baryonic) quark systems is very briefly reviewed a la Jaffe, i.e. in the MIT bag, and so far still possibly viable candidates are indicated. Concentration is on S=-2 systems.…
Studying chemical reactions on a state-to-state level tests and improves our fundamental understanding of chemical processes. For such investigations it is convenient to make use of ultracold atomic and molecular reactants as they can be…
A potential energy surface for the lowest quartet electronic state of lithium trimer is developed and used to study spin-polarized Li + Li_2 collisions at ultralow kinetic energies. The potential energy surface allows barrierless atom…
We present fully ab-initio calculations of van der Waals coefficients for two different situations: i) the interaction between hydrogenated silicon clusters; and ii) the interactions between these nanostructures and a non metallic surface…