Related papers: Novel Approach to Structural Relaxation of Materia…
We present an alternative methodology for calculating the quasi-particle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To test the accuracy of the method it is first applied to the…
The difficulties that typically prevent numerical solutions from being obtained to finite-energy, two-body, bound-state Bethe-Salpeter equations can often be overcome by expanding solutions in terms of basis functions that obey the boundary…
We present a general, high-order, fully explicit relaxation scheme which can be applied to any system of nonlinear hyperbolic conservation laws in multiple dimensions. The scheme consists of two steps. In a first (relaxation) step, the…
Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…
The $GW$-Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molecules, and in the commonly implemented diagonal…
The incoherent dynamic structure factor of ortho-terphenyl has been measured by neutron time-of-flight and backscattering technique in the pressure range from 0.1 MPa to 240 MPa for temperatures between 301 K and 335 K. Tagged-particle…
The Bethe-Salpeter equation for the electron-hole correlation function is the state-of-the-art formalism for optical and core spectroscopy in condensed matter. Solutions of this equation yield the full dielectric response, including both…
The results by development of physical, mathematical and numerical models for parametric excitation and suppression of oscillations on the interfaces separating continuous media, for carrying out computing, physical and natural experiments…
We present a fragment-based framework for analyzing exciton couplings within the $GW$-Bethe-Salpeter Equation formalism using localized molecular orbitals, and assess how excitonic states in molecular dimers can be decomposed into local and…
Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures of Ne and Ar were calculated using the GW approximation.…
Both theoretical and experimental results for the dynamics of photoexcited electrons at surfaces of Cu and the ferromagnetic transition metals Fe, Co, and Ni are presented. A model for the dynamics of excited electrons is developed, which…
The solution of the Bethe-Salpeter equation within the framework of many-body perturbation theory has turned out to be a benchmark for ab-initio calculations of optical properties of semiconductors and insulators. Commonly, however, the…
We study the optical loading of a trapped Bose-Einstein condensate by spontaneous emission of atoms in excited electronic state in the Boson-Accumulation Regime. We generalize the previous simplified analysis of ref. [Phys. Rev. A 53, 2466…
Electron-phonon and exciton-phonon interactions in nanoclusters are formulated and computed under the framework of GW-BSE (Bethe-Salpeter equation) approach. The phonon effect is modeled with the two-particle representation for the first…
Exciton-polaritons -- hybrid states of photons and excitons -- offer unique avenues for controlling electronic, optical, and chemical properties of materials. However, their modeling is mostly limited to formalisms that wash out atomistic…
We study an energy relaxation process after many degrees of freedom are excited in a Hamiltonian system with a large number of degrees of freedom. Bottlenecks of relaxation, where relaxations of the excited elements are drastically slowed…
The Bethe-Salpeter amplitude is expanded on a hyperspherical basis, thereby reducing the original 4-dimensional integral equation into an infinite set of coupled 1-dimensional ones. It is shown that this representation offers a highly…
Twisted van der Waals heterostructures and the corresponding superlattices, moire superlattices, are remarkable new material platforms, in which electron interactions and excited-state properties can be engineered. Particularly, the band…
We investigate the momentum-resolved dynamics of conduction electrons in noble metals following ultrashort optical excitation with linearly polarized light. Using a momentum-resolved Boltzmann equation approach for electron-phonon…
We present an energy-specific Bethe-Salpeter equation (BSE) implementation for efficient core and valence optical spectrum calculations. In energy-specific BSE, high-lying excitation energies are obtained by constructing trial vectors and…