Author:
Rusakov Alexander,Zaitsevskii André
Abstract
AbstractExcited electronic states of the Au3 cluster are studied within the shape-consistent small-core relativistic pseudopotential model using many-body multipartitioning perturbation theory. Vertical transition energies and dipole moments are evaluated. For highly symmetric isomer, these theoretical results are in reasonable agreement with spectroscopic data from experiments.
Subject
General Physics and Astronomy
Cited by
5 articles.
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1. Comment on “Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3”;The Journal of Physical Chemistry A;2023-08-29
2. Nonadiabatic scattering of NO off Au3
clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions;Journal of Computational Chemistry;2018-12-28
3. Communication: Coupled-cluster interpretation of the photoelectron spectrum of Au 3−;The Journal of Chemical Physics;2014-09-14
4. An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools;Physical Chemistry Chemical Physics;2012
5. All-electron relativistic calculation on Au5X (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) clusters;Indian Journal of Physics;2010-03