Wrocław University of Technology

About: Wrocław University of Technology is a education organization based out in Wrocław, Poland. It is known for research contribution in the topics: Laser & Fuzzy logic. The organization has 13115 authors who have published 31279 publications receiving 338694 citations.

Modified all-valence INDO/spd method for ground and excited state properties of isolated molecules and molecular complexes

Abstract: A new semiempirical all-valence method, GRINDOL (Ghost and Rydberg INDO), based on the INDO approximation, is described. Linderberg–Seamans relation (extended to the d and Rydberg orbitals) for the resonance integrals and a new semitheoretical expression for the core-core repulsion term and energy correction including basis-set superposition error (intermolecular as well as intramolecular) has been applied. The proposed method enables calculation of ground and excited state properties. The ground state results (including intermolecular interactions) as well as the spectral properties are in reasonable agreement with relevant experimental (or ab initio) studies for isolated molecules, molecular complexes, and transition metal compounds. The method contains only one adjustable parameter, all two-center integrals and terms are only basis-set dependent. The one-center integrals are evaluated from the respective atomic terms.

Dark excitons and the elusive valley polarization in transition metal dichalcogenides

Abstract: A rate equation model for the dark and bright excitons kinetics is proposed which explains the wide variation in the observed degree of circular polarization of the PL emission in different TMDs monolayers. Our work suggests that the dark exciton states play an important, and previously unsuspected role in determining the degree of polarization of the PL emission. A dark exciton ground state provides a robust reservoir for valley polarization, which tries to maintain a Boltzmann distribution of the bright exciton states in the same valley via the intra valley bright dark exciton scattering mechanism. The dependence of the degree of circular polarization on the detuning energy of the excitation in MoSe2 suggests that the electron–hole exchange interaction dominates over two LA phonon emission mechanism for inter valley scattering in TMDs.

On ideals and congruences in bcc-algebras

Abstract: We introduce a new concept of ideals in BCC-algebras and describe connections between such ideals and congruences.