Systematic Investigation of Electronic States and Bond Properties of LnO, LnO+, LnS, and LnS+ (Ln = La–Lu) by Spin–Orbit Multiconfiguration Perturbation Theory
T Nakamura, G Schoendorff, DS Yang… - Journal of Chemical …, 2024 - ACS Publications
The electronic structures of lanthanide monoxides (LnO/LnO+) and monosulfides
(LnS/LnS+) for all lanthanide series elements (Ln= La–Lu) have been systematically …
(LnS/LnS+) for all lanthanide series elements (Ln= La–Lu) have been systematically …
Electronic states and transitions of PrO and PrO+ probed by threshold ionization spectroscopy and spin–orbit multiconfiguration perturbation theory
The precise ionization energy of praseodymium oxide (PrO) seeded in supersonic molecular
beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. A total of …
beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. A total of …
A route to high-accuracy ab initio description of electronic excited states in high-spin lanthanide-containing species: A case study of GdO
AN Smirnov, VG Solomonik - The Journal of chemical physics, 2023 - pubs.aip.org
Accurate description of electronic excited states of high-spin molecular species is a yet
unsolved problem in modern electronic structure theory. A composite computational scheme …
unsolved problem in modern electronic structure theory. A composite computational scheme …