Related papers: Generalized master equation for modular exciton de…
A generalized two-center cluster model (GTCM), including various partitions of the valence nucleons around two alpha-cores, is proposed for studies on the exotic cluster structures of Be isotopes. This model is applied to the 10Be = alpha +…
We consider the modified Emden equation (MEE) and introduce its most general solution, using the most general solution for the simple harmonic oscillator's linear dynamical equation (i.e., the initial conditions shall be identified by the…
Recently the quantum nature in the energy transport in solar cell and light-harvesting complexes have attracted much attention, as being triggered by the experimental observations. We model the light-harvesting complex (i.e., PEB50 dimer)…
We present an ab initio molecular dynamics (MD) investigation of the tautomeric equilibrium for aqueous solutions of glycine and acetone at realistic experimental conditions. Metadynamics is used to accelerate proton migration among…
We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we…
Photoluminescence spectra measured on a type-II GaSb/GaAs quantum dot ensemble at high excitation power indicate a Mott transition from the low density state comprising of spatially-indirect excitons to a high density electron-plasma state.…
The Mott transition from a dipolar excitonic liquid to an electron-hole plasma is demonstrated in a wide GaN/(Al,Ga)N quantum well at $T=7$K by means of spatially-resolved magneto-photoluminescence spectroscopy. Increasing optical…
We present a new nonempirical density functional generalized gradient approximation (GGA) that gives significant improvements for lattice constants, crystal structures, and metal surface energies over the most popular Perdew-Burke-Ernzerhof…
An optical method is suggested to determine the concentration of two-dimensional electrons in modulation-doped quantum wells at low and moderate electron densities between 10^{9} and 2x10^{11} cm^{-2}. The method is based on an analysis of…
We review a series of works where the fundamental master equation is used to develop a microscopical description of evolution of non-equilibrium atomic distributions in alloys. We describe exact equations for temporal evolution of local…
The energy-momentum tensor (EMT) is the conserved current corresponding to space-time translation symmetry. Its applications are remarkably diverse, ranging from the thermodynamics to the calculation of transport coefficients. While the EMT…
We studied the nonequilibrium dynamics of the indirect mixing of two (pseudo-)scalar fields induced by their couplings to common decay channels in a medium. The effective non-Markovian quantum master equation (QME) for the two fields'…
An implementation of the generalized time-dependent generator coordinated method (TD-GCM) is developed, that can be applied to the dynamics of small- and large-amplitude collective motion of atomic nuclei. Both the generator states and…
Fenna-Matthews-Olson (FMO) bacteriochlorophylls (BChls) are molecules responsible of the high efficiency energy transfer in the photosynthetic process of green sulfur bacteria, controversially associated to quantum phenomena of long lived…
We use Boltzmann transport equation (BE) to study time evolution of a photo-excited state in a nanoparticle including phonon-mediated exciton relaxation and the multiple exciton generation (MEG) processes, such as exciton-to-biexciton…
We derive a quantum master equation which describes the dynamics of the ensemble-averaged state of homogeneous disorder models at short times, and mediates a transition from coherent superpositions into classical mixtures. While each single…
Understanding the mechanisms of efficient and robust energy transfer in light-harvesting systems provides new insights for the optimal design of artificial systems. In this paper, we use the Fenna-Matthews-Olson (FMO) protein complex and…
Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…
Based on the operatorial formulation of the perturbation theory, the exciton-phonon problem is revisited for investigating exciton-mediated energy flow in a finite-size lattice. Within this method, the exciton-phonon entanglement is taken…
The correlated motion of a positron surrounded by electrons is a fundamental many-body problem. We approach this by modeling the momentum density of annihilating electron-positron pairs using the framework of reduced density matrices,…