Filtern
Volltext vorhanden
- ja (9)
Gehört zur Bibliographie
- ja (9)
Dokumenttyp
Sprache
- Englisch (9)
Schlagworte
- 2Dimensionale Spektroskopie (2)
- EEA (2)
- Exziton (2)
- Spektroskopie (2)
- boron (2)
- exciton-exciton (2)
- 1,4-naphthoquinone (1)
- Acene (1)
- Bindungsaktivierung (1)
- Biradikale (1)
- Bor (1)
- Exciton (1)
- Heterocyclen (1)
- Schroedinger equation (1)
- ab initio calculations (1)
- absorption spectra (1)
- acenes (1)
- atomic physics (1)
- biradicals (1)
- bond Activation (1)
- carbene ligands (1)
- chemistry (1)
- computational physics (1)
- covalent reversible inhibition (1)
- covariance and correlation (1)
- density functional calculations (1)
- excited states (1)
- exciton (1)
- excitons (1)
- heterocycles (1)
- information theory entropy (1)
- molecular physics (1)
- nodal structures (1)
- nucleophilic addition (1)
- particle correlations (1)
- polymers (1)
- prodrug (1)
- protease (1)
- quantum wave functions (1)
- radicals (1)
- rhodesain (1)
- time-dependent Schrodinger equation (1)
- wave functions (1)
Institut
Sonstige beteiligte Institutionen
EU-Projektnummer / Contract (GA) number
- 614623 (2)
We study the influence of nodal structures in two-dimensional quantum mechanical densities on wave packet entanglement. This is motivated by our recent study [Entropy, 25, 970 (2023)], which showed that the mutual information derived from the momentum-space probability density of a coupled two-particle system exhibits an unusual time dependence, which is not encountered if the position-space density is employed in the calculation. In studying a model density, here, we identify cases where the mutual information increases with the number of nodes in the wave function and approaches a finite value, whereas in this limit, the linear correlation vanishes. The results of the analytical model are then applied to interpret the correlation measures for coupled electron-nuclear dynamics, which are treated by numerically solving the time-dependent Schrödinger equation.