Related papers: A diabatic state model for double proton transfer …
We identify a nontrivial multistate Landau-Zener model for which transition probabilities between any pair of diabatic states can be determined analytically and exactly. In the semiclassical picture, this model features the possibility of…
A dc current can be pumped through an interacting system by periodically varying two independent parameters such as magnetic field and a gate potential. We present a formula for the adiabatic pumping current in general interacting systems,…
At the few-atom-thick limit, transition metal dichalcogenides (TMDs) exhibit a host of attractive electronic optical, and structural properties. The possibility to pattern these properties has a great impact on applied and fundamental…
Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy…
We examine, using mixed classical-quantum electron-ion dynamics, electron transfer in a donor-acceptor-like molecular junction system based on polyacetylene. We identify two qualitatively-different transfer regimes: hopping and tunnelling.…
The adiabatic equation of state $P \propto n^{\Gamma}$ describes the pressure evolution of highly collisional, isotropic plasmas in terms of their density, providing a possible closure of the fluid moment hierarchy in the absence of heat…
Dissociative recombination of N$_2$H$^+$ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory…
The diabatic dynamical diquark model is designed to unify diquark and molecular approaches for exotic hadrons, by including the effects of di-meson thresholds on fundamental diquark-antidiquark states in order to form physical tetraquarks.…
We present an ab initio study of the HeH$^+$ molecule. Using the quantum chemistry package MOLPRO and a large adapted basis set, we have calculated the adiabatic potential energy curves of the first 20 $^1 \Sigma^+$, 19 $^3\Sigma^+$, 12…
The bound states of two electrons in the adiabatic Holstein-Hubbard model are studied numerically in one and two dimensions from the anticontinuous limit. This model involves a competition between a local electron-phonon coupling (with a…
Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model…
Velocity profiles of ground state lines of H2D+, HC18O+ and N2H+, observed previously with the CSO and IRAM 30m telescopes, are modeled with a Monte Carlo radiative transfer program to study the temperature, density and velocity structure…
Aqueous radiation chemistry emerges through ultrafast proton transfer and ion-radical formation with unexplored energy-redistribution dynamics steering the subsequent reactions. We performed time-resolved disruptive probing on pure water…
We obtain in a direct and rigorous manner a transition from a stable molecular hydrogen $nH_2$ single chain to the quasiatomic two-chain $2nH$ state. We devise an original method composed of an exact diagonalization in the Fock space…
We study a class of exactly solvable models for strongly correlated electrons, defined on a set of N cells, and with infinite on-site repulsion on part of the sites of each cell. For 2N or more electrons the exact ground state is known. We…
A $(1+1)$ dimensional model of directed percolation is introduced where sites on a tilted square lattice are connected to their neighbours by $N$ channels, operated at both ends by valves which are either open or closed. The spreading fluid…
The energy dependence of forward pion double charge exchange reactions on light nuclei is studied for both the Ground State transition and the Double-Isobaric-Analog-State transitions. A common characteristic of these double reactions is a…
In the design of quantum computer architectures that take advantage of the long coherence times of dopant nuclear and electron spins in the solid-state, single-spin detection for readout remains a crucial unsolved problem. Schemes based on…
Open-print version of dissertation thesis. This thesis focuses on the relation between the diproton correlation and the two-proton emission with quantum entanglement. For this purpose, I developed a time-dependent three-body…
We consider an inhomogeneous quantum phase transition across a multicritical point of the XY quantum spin chain. This is an example of a Lifshitz transition with a dynamical exponent z = 2. Just like in the case z = 1 considered in New J.…