Electron correlation effects in hyperfine interactions in45Sc and89Y

Tuning Correlation Effects with Electron–Phonon Interactions

Hyperfine Effects in Ionic Orbital Electron Capture

Investigation of electron correlation effects in armchair silicene nanoribbons

In this study, the electronic structure of armchair silicene nanoribbons (ASiNRs) is investigated for various widths using first-principle calculations and the framework of the density functional theory. Electronic structure of ASiNRs shows a direct band gap which is decreased  with increasing the nanoribbon's width, showing an oscillatory behavior. The effective Coulomb interaction between loca...

Influence of structure on electron correlation effects and electron-water dispersion interactions in anionic water clusters.

Electronic structure calculations at the level of second-order Møller-Plesset perturbation theory have been performed on anionic water clusters, (H2O)n(-), in the n = 14-33 size regime. The contribution to the electron binding energy that arises from electron correlation is found to be significantly larger for cavity-bound electrons than it is for surface-bound electrons, even for surface state...

1H hyperfine interactions in the Mn-cluster of photosystem II in the S2 state detected by hyperfine sublevel correlation spectroscopy.

A study of the hydrogen hyperfine couplings of the Mn-cluster of the oxygen-evolving complex of Photosystem II in the S(2) state of the Kok cycle by means of hyperfine sublevel correlation spectroscopy was achieved. Features corresponding to hyperfine interaction of at least two hydrogen nuclei were detected. Combining our results with previous ENDOR data, hyperfine constants were determined, a...