Related papers: The diabatic valence-hole concept
The optical spectra of CdSe nanocrystals up to 55 A in diameter are analyzed in a wide range of energies from the fine structure of the low-energy excitations to the so-called high-energy transitions. We apply a symmetry-based method in two…
We identify a nontrivial 4-state Landau-Zener model for which transition probabilities between any pair of diabatic states can be determined analytically and exactly. The model describes an experimentally accessible system of two…
Electron states are studied for quantum dots in a strained Si quantum well, taking into account both valley and orbital physics. Realistic geometries are considered, including circular and elliptical dot shapes, parallel and perpendicular…
We here present a fresh approach to Frenkel excitons in cubic semiconductor crystals, with a special focus on the spin and spatial degeneracies of the electronic states. This approach uses a second quantization formulation of the problem in…
Applying a variational multiparticle-multihole configuration mixing method whose purpose is to include correlations beyond the mean field in a unified way without particle number and Pauli principle violations, we investigate pairing-like…
Three entanglement concentration protocols (ECPs) are proposed. The first ECP and a modified version of that are shown to be useful for the creation of maximally entangled cat and GHZ-like states from their non-maximally entangled…
The coexistence of various structures, such as diverse shapes and cluster structures, is a fundamental property of atomic nuclei. In neutron-rich nuclei, a core$+n$ structure can compete with nuclear deformation due to the small neutron…
Motivated by the colossal negative thermal expansion recently found in BiNiO$_3$, the valence transition accompanied by the charge transfer between the Bi and Ni sites is theoretically studied. We introduce an effective model for Bi-$6s$…
We present a theory of electronic properties and the spin blockade phenomena in a gated linear triple quantum dot. Quadruple points where four different charge configurations are on resonance, particularly involving (1,1,1) configuration,…
We calculate the excitonic optical absorption spectra of (In,Ga)As/GaAs self-assembled quantum dots by adopting an atomistic pseudopotential approach to the single-particle problem followed by a configuration-interaction approach to the…
This work presents a novel methodology termed Direct Diabatic States Construction (DDSC), which integrates fragment wavefunctions into an anti-symmetric wavefunction for the entire system. Using a fragment-localized state-consistent…
A novel method of coherent manipulation of the electron tunneling in quantum-dots is proposed, which utilizes the quantum interference in nonadiabatic double-crossing of the discrete energy levels. In this method, we need only a smoothly…
When a vacancy is created in an inner-valence orbital of a dimer of atoms or molecules, the resulting species can undergo interatomic/intermolecular Coulombic decay (ICD): the hole is filled through a relaxation process that leads to a…
We theoretically study quasi-two-dimensional nickel compounds, where the nickel ions assume Ni$^{2+}$ $d^8$ valence state and feature a low-spin $S=0$ ground state quasidegenerate with $S=1$ ionic excitations. Such a level structure is…
For two-dimensional single-valley quadratic band crossing systems with weak repulsive electron-electron interactions, we show that upon introducing a chemical potential, particle-hole order is suppressed and superconductivity becomes the…
If the Zeeman energy is small, the lowest energy excitations of a two dimensional electron gas at filling factor nu=1 are spin waves (spin flip excitations). At nu slightly larger (smaller) than unity, reversed spin electrons (spin holes)…
Theoretical investigation of the dissociative recombination (DR) of NeH+ with low-energy electrons in the regime where the process occurs without direct potential energy curve crossings is presented. The calculations are performed using…
We present an efficient method of inclusion of the core-valence correlations into the configuration interaction (CI) calculations. These correlations take place in the core area where the potential of external electrons is approximately…
A quantitative theoretical study of the dissociative recombination of SH$^+$ with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH$^+$ and…
We present an ab initio study of the rovibronic spectra of sulfur monoxide ($^{32}$S$^{16}$O) using internally contracted multireference confoguration interaction (ic-MRCI) method and aug-cc-pV5Z basis sets. It covers 13 electronic states…