Related papers: Simulation of optical response functions in molecu…
Mathematical methods provide useful framework for the analysis and design of complex systems. In newer contexts such as biology, however, there is a need to both adapt existing methods as well as to develop new ones. Using a combination of…
Using Green$'$s function and operator techniques we give a closed expression for the response of a non-relativistic system interacting through confining, harmonic forces. The expression for the incoherent part permits rapid evaluation of…
The electric conductance of a molecular junction is calculated by recasting the Keldysh formalism in Liouville space. Dyson equations for nonequilibrium many body Green's functions (NEGF) are derived directly in real (physical) time. The…
We discuss recent \emph{ab initio} calculations based on self-consistent Green's function theory. It is found that a simple extension of the formalism to account for two-nucleon scattering outside the model space allows to calculate…
Understanding microstructure in terms of closed-form expressions is an open challenge in nonequilibrium statistical physics. We propose a simple and generic method that combines particle-resolved simulations, deep neural networks and…
We propose a novel approach to quasiparticle GW calculations which does not require the computation of unoccupied electronic states. In our approach the screened Coulomb interaction is evaluated by solving self-consistent linear-response…
Experimental control and detection of atoms and molecules often rely on optical transitions between different electronic states. In many cases, substructure such as hyperfine or spin-rotation structure leads to the need for multiple optical…
Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical…
By introducing multipe-site correlation functions, we propose a hierarchical Green function approach, and apply it to study the characteristic properties of a 2D square lattice Hubbard model by solving the equation of motions of a…
We analyze the optical pump-probe reflection and transmission coefficients when the photoinduced response depends nonlinearly on the incident pump intensity. Under these conditions, we expect the photoconductivity depth profile to change…
A many-body Green's function approach to the microscopic theory of plasmon-enhanced spectroscopy is presented within the context of localized surface-plasmon resonance spectroscopy and applied to investigate the coupling between…
We study classical binary fluid mixtures in which densities vary on very short time (ps) and length (nm) scales, such that hydrodynamics does not apply. In a pure fluid with a localized heat pulse the breakdown of hydrodynamics was overcome…
We present a spectrogram separation method tailored for mixtures comprising two nonstationary components. By exploiting the unique characteristics of their time-frequency representations, we propose an inverse problem formulation to…
A relativistic Green's function approach to inclusive quasielastic charged-current neutrino-nucleus scattering is developed. The components of the hadron tensor are written in terms of the single-particle Green's function, which is expanded…
The identification of relevant collective coordinates is crucial for the interpretation of coherent nonlinear spectroscopies of complex molecules and liquids. Using an $\hbar$ expansion of Liouville space generating functions, we show how…
In this work, we study the scattering problem of the general nonlinear finitely many Dirac delta potentials with complex coupling constants (or opacities in the context of optics) using the Green's function method and then find the bound…
The nonlinear photon-photon interaction mediated by a single two-level atom is studied theoretically based on a one-dimensional model of the field-atom interaction. This model allows us to determine the effects of an atomic nonlinearity on…
Neurons are spatially extended structures that receive and process inputs on their dendrites. It is generally accepted that neuronal computations arise from the active integration of synaptic inputs along a dendrite between the input…
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and…
Green's functions are highly useful in analyzing the dynamical behavior of polynomials in their escaping set. The aim of this paper is to construct an analogue of Green's functions for planar quasiregular mappings of degree two and constant…