Related papers: Molecular double core-hole electron spectroscopy f…
The double electron attachment (DEA) and double ionization potential (DIP) equation-of-motion coupled-cluster (EOMCC) methods including up to 4-particle-2-hole (4$p$-2$h$) and 4-hole-2-particle (4$h$-2$p$) excitations on top of…
The double ionization potential (DIP) equation-of-motion (EOM) coupled-cluster (CC) method with a full treatment of 4-hole-2-particle (4$h$-2$p$) correlations and triply excited clusters, abbreviated as DIP-EOMCCSDT(4$h$-2$p$), and its…
Double layer systems where one layer has electrons and the holes are in a parallel layer a distance d away are expected to undergo excitonic condensation at low temperature. This excitonic condensate is traditionally described by a…
In a recent publication [Phys. Rev. Lett. 97, 227402 (2006), cond-mat/0611411], it has been demonstrated numerically that a long-range disorder potential in semiconductor quantum wells can be reconstructed reliably via single-photon…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
The two-body core+$2n$ cluster structure was implemented to describe the two-neutron halo nucleus $^{\mathrm{14}}\mathrm{Be}$, where the core$^{\mathrm{12}}\mathrm{Be}$ was assumed inert and at ground state and the dineutron was assumed at…
After ionization of an inner-valence electron of molecules, the resulting cation-radicals store substantial internal energy which, if sufficient, can trigger ejection of an additional electron in an Auger decay usually followed by molecule…
Tracking the multifarious ultrafast electronic and structural changes occurring in a molecule during a photochemical transformation is a challenging endeavor that benefits from recent experimental and computational progress in time-resolved…
X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF${}_{3}$) from a racemic mixture have been investigated using the COLTRIMS (Cold Target Recoil Ion Momentum Spectroscopy) technique. Two important…
Optically generated electron-hole pairs can probe strongly correlated electronic matter, or, by forming exciton-polaritons within an optical cavity, give rise to photonic nonlinearities. The present paper theoretically studies the…
We present a comparative analysis of 1$s$ and 2$p$ core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO$_2$ and CrO$_2$. Even though the V 1$s$ and 2$p$ spectra in VO$_2$ display similar line shapes except the…
The rich internal structure and long-range dipole-dipole interactions establish polar molecules as unique instruments for quantum-controlled applications and fundamental investigations. Their potential fully unfolds at ultracold…
We present a semi-analytical theoretical kp-study of the energy structure and optical transitions in spherical core-shell InP/ZnSe nanocrystals. We use the eight-band Kane model and the six-band Luttinger Hamiltonian in the spherical…
We propose a novel probe technique capable of performing local low-temperature spectroscopy on a 2D electron system (2DES) in a semiconductor heterostructure. Motivated by predicted spatially-structured electron phases, the probe uses a…
We use temporally resolved intensity cross-correlation measurements to identify the biexciton-exciton radiative cascades in a negatively charged QD. The polarization sensitive correlation measurements show unambiguously that the excited two…
The electronic energy levels of cyclo(Glycine-Phenylalanine), cyclo(Tryptophan-Tyrosine) and cyclo(Tryptophan-Tryptophan) dipeptides are investigated with a joint experimental and theoretical approach. Experimentally, valence photoelectron…
The dissociation of excited electron-hole pairs is a microscopic process that is fundamental to the performance of photovoltaic systems. For this process to be successful, the oppositely charged electron and hole must overcome an…
Quantum Monte Carlo and quantum chemistry techniques are used to investigate pseudopotential models of the lithium hydride (LiH) molecule. Interatomic potentials are calculated and tested by comparing with the experimental spectroscopic…
The method has been developed to calculate effects of polarization not only for a atomic core in a field of valent electron, but also polarization of atom as a whole in the electron-hole formalism. A secondary quantized density matrix for…
Conjugated polymers can be reversibly doped by electrochemical means. This doping introduces new sub-bandgap optical absorption bands in the polymer while decreasing the bandgap absorption. To study this behavior, we have prepared an…