Search results for "Coupling"
showing 10 items of 1862 documents
Basic Concepts and Methodology
2016
In this chapter, the main concepts relevant for the theoretical study of elementary photochemical processes are briefly reviewed. The notions of vibronic coupling and conical intersection are first introduced. The main basic tools from the molecular electronic structure theory and their use for the exploration of potential energy surfaces are then presented.
Microscopic description of dissipative dynamics of a level-crossing transition
2011
We analyze the effect of a dissipative bosonic environment on the Landau-Zener-Stuckelberg-Majorana (LZSM) level crossing model by using a microscopic approach to derive the relevant master equation. For an environment at zero temperature and weak dissipation our microscopic approach confirms the independence of the survival probability on the decay rate that has been predicted earlier by the simple phenomenological LZSM model. For strong decay the microscopic approach predicts a notable increase of the survival probability, which signals dynamical decoupling of the initial state. Unlike the phenomenological model our approach makes it possible to study the dependence of the system dynamics…
Drops of3Heatoms with good angular-momentum quantum numbers
2000
The stability of drops made of ${}^{3}\mathrm{He}$ atoms is studied by means of a Monte Carlo variational method using wave functions with good angular momentum quantum numbers. The number of constituents considered is in the range 34--40. It is found that the minimal bound drop requires 35 atoms (perhaps 34) and that the preferred wave function must have the maximum spin.
Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: a toy model
2017
In this paper, we propose a toy model to describe the magnetic coupling between the localized spins mediated by the itinerant electron in partially delocalized mixed-valence (MV) systems. This minimal model takes into account the key interactions that are common for all such systems, namely, electron transfer in the valence-delocalized moiety and magnetic exchange between the localized spins and the delocalized electrons. The proposed descriptive model is exactly solvable which allows us to qualitatively and quantitatively discuss the main features of the whole class of partially delocalized MV systems. In the case of relatively strong exchange coupling, the combined action of these two int…
Impact of the quenching of gA on the sensitivity of 0νββ experiments
2017
Detection of the neutrinoless $\ensuremath{\beta}\ensuremath{\beta}$ ($0\ensuremath{\nu}\ensuremath{\beta}\ensuremath{\beta}$) decay is of high priority in the particle- and neutrino-physics communities. The detectability of this decay mode is strongly influenced by the value of the weak axial-vector coupling constant ${g}_{A}$. The recent nuclear-model analyses of $\ensuremath{\beta}$ and $\ensuremath{\beta}\ensuremath{\beta}$ decays suggest that the value of ${g}_{A}$ could be dramatically quenched, reaching ratios of ${g}_{A}^{\mathrm{free}}/{g}_{A}\ensuremath{\approx}4$, where ${g}_{A}^{\mathrm{free}}=1.27$ is the free, neutron-decay, value of ${g}_{A}$. The effects of this quenching ap…
Insight Into The Spin-Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata.
2021
The effects of the vibronic coupling in quantum cellular automata (QCA) based on the square planar mixed valence (MV) molecular cells comprising four paramagnetic centers (spin cores) and two excess mobile electrons are analyzed in the important particular case when the Coulomb energy gap between the ground antipodal diagonal-type two-electron configurations and the excited side-type configurations considerably exceeds both the one-electron transfer parameter (strong U-limit) and the vibronic stabilization energy. Under such conditions the developed model involves the second-order double exchange, the Heisenberg-Dirac-Van Vleck (HDVV) exchange and the vibronic coupling of the excess electro…
Localization–Delocalization in Bridged Mixed-Valence Metal Clusters: Vibronic PKS Model Revisited
2015
Here we describe a new vibronic model of mixed valence (MV) dimer inspired by the conventional Piepho, Krausz, and Schatz (PKS) approach. We attempted to partially lift the main restriction of the PKS model dealing with the vibronically independent moieties of a MV molecule. The refined version of the PKS model in which the bridging ligands are included deals with the three main interactions: electron transfer (integral t0) related to the high-symmetric ligand configuration, on-site vibronic coupling (parameter υ) arising from the modulation of the crystal field on the metal sites by the breathing displacements of their nearest ligand surroundings, and intercenter vibronic coupling (paramet…
Probing the single-particle behavior above Sn132 via electromagnetic moments of Sb133,134 and N=82 isotones
2021
Magnetic and quadrupole moments of the $7/{2}^{+}$ ground state in $^{133}\mathrm{Sb}$ and the $({7}^{\ensuremath{-}})$ isomer in $^{134}\mathrm{Sb}$ have been measured by collinear laser spectroscopy to investigate the single-particle behavior above the doubly magic nucleus $^{132}\mathrm{Sn}$. The comparison of experimental data of the $7/{2}^{+}$ states in $^{133}\mathrm{Sb}$ and neighboring $N=82$ isotones to shell-model calculations reveals the sensitivity of magnetic moments to the splitting of the spin-orbit partners $\ensuremath{\pi}0{g}_{9/2}$ and $\ensuremath{\pi}0{g}_{7/2}$ across the proton shell closure at $Z=50$. In contrast, quadrupole moments of the $N=82$ isotones are insen…
Electrically switchable magnetic exchange in the vibronic model of linear mixed valence triferrocenium complex
2018
In this article, we report our development of a vibronic model for the electric-field control of antiferromagnetic superexchange in the mixed-valence (MV) triferrocenium complex FeIII-FeII-FeIII proposed as a possible candidate for the molecular implementation of a quantum logic gate. Along with the electronic interactions, such as electron transfer between the iron ions in different oxidation degrees and Coulomb repulsion of the extra holes, the proposed model of the triferrocenium complex also takes into account the vibronic coupling as an inherent ingredient of the problem of mixed valency. The latter is described by the conventional Piepho-Krauzs-Shatz (PKS) model adapted to the linear …
Emergence of Coherence through Variation of Intermolecular Distances in a Series of Molecular Dimers
2015
Quantum coherences between electronically excited molecules are a signature of entanglement and play an important role for energy transport in molecular assemblies. Here we monitor and analyze for a homologous series of molecular dimers embedded in a solid host the emergence of coherence with decreasing intermolecular distance by single-molecule spectroscopy and quantum chemistry. Coherent signatures appear as an enhancement of the purely electronic transitions in the dimers which is reflected by changes of fluorescence spectra and lifetimes. Effects that destroy the coherence are the coupling to the surroundings and to vibrational excitations. Complementary information is provided by excit…