相关论文: Bootstrap kernel for organic low dimensional syste…
Graphene-based nanostructured systems and van-der-Waals heterostructures comprise a material class of growing technological and scientific importance. Joining materials with vastly different properties, polymer-graphene heterosystems…
Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton…
Photoelectron spectra of aromatic anhydrides and imides like PTCDA (perylene-tetracarboxylic dianhydride), PTCDI (perylene-tetracarboxylic diimide), and NDCA (naphthalene-dicarboxylic anhydride) on smooth single crystal surfaces show…
Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust instantaneously to nuclear motion. The exact factorization (EF)…
In a pair of coupled donor-acceptor conjugated polymer chains, it is possible for an exciton photoexcited on either polymer to decay into a hole in the donor polymer's valence band and an electron in the conduction band of the acceptor…
The optoelectronic and excitonic properties in a series of linear acenes (naphthalene up to heptacene) are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these rather simple systems,…
Possible conformations of the thioderivatives of pentacene (Pn) have been considered. The absorption spectra of polythiopentacene (PTPn) solutions and films have been studied. PTPn is revealed to be a mixture of Pn thioderivatives with…
Among polycyclic aromatic hydrocarbons, pyrene is widely used as an optical probe thanks to peculiar ultraviolet absorption and infrared emission features. Interestingly, this molecule is also an abundant component of the interstellar…
Pentacene is known to grow on isotropic silicon oxide surfaces in a substrate-induced phase with fiber textured crystallites. This growth study reports on the growth of pentacene crystallites on uniaxially oriented surfaces. Silica…
The charge transfer and polarization effects are important components in the molecular mechanism description of bio-molecules. Classical force field with fixed point charge cannot take into the account of the non-negligible correlation…
Effects of electron-beam processing on the structure and mechanical properties of poly-ether-ether ketone (PEEK) were studied by XRD and tribological tests. An ambiguous change in the mechanical properties of the irradiated samples was…
The spectra and electroweak decay properties of light mesons are analyzed within the framework of the instantaneous Bethe-Salpeter equation. The interaction kernel comprises alternative spin-structures for a parameterization of confinement…
A new class of bootstrap percolation models in which particle culling occurs only for certain numbers of nearest neighbours is introduced and studied on a Bethe lattice. Upon increasing the density of initial configuration they undergo…
The acetylene-vinylidene system serves as a benchmark for investigations of ultrafast dynamical processes where the coupling of the electronic and nuclear degrees of freedom provides a fertile playground to explore the femto- and…
In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on (metallic) surfaces. By measuring the angular distribution of…
We propose non-stationary spectral kernels for Gaussian process regression. We propose to model the spectral density of a non-stationary kernel function as a mixture of input-dependent Gaussian process frequency density surfaces. We solve…
Reduced electron screening in two-dimension plays a fundamental role in determining exciton properties, which dictates optoelectronic and photonic device performances. Considering the explicit electron-hole interaction within the…
The structural profiles and electronic properties of pentacene (C$_{22}$H$_{14}$) multilayers on Ag(111) surface has been studied within the density functional theory (DFT) framework. We have performed first-principle total energy…
Two ubiquitous aspects of large-scale data analysis are that the data often have heavy-tailed properties and that diffusion-based or spectral-based methods are often used to identify and extract structure of interest. Perhaps surprisingly,…
Conformal field theories play a central role in theoretical physics with many applications ranging from condensed matter to string theory. The conformal bootstrap studies conformal field theories using mathematical consistency conditions…