The electronic spectrum of AgBr2 : Ab initio benchmark calculations on the 2 Πu and 2 Σu + charge transfer states including spin-orbit effects
Author:
Funder
CONACYT Basic Science Project
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24183/fullpdf
Reference51 articles.
1. The electronic spectrum of AgBr2: Ab initio benchmark vs. DFT calculations on the lowest ligand-field states including spin–orbit effects
2. Ab initio study on the spectroscopy of CuCl2. I. Benchmark calculations on the X 2Πg–2Σg+ transition
3. Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X 2Πg-C 2Δg and X 2Πg-D 2Δg transitions
4. Infrared Spectra of Gaseous Transition‐Metal Dihalides
5. Electronic Absorption Spectra of the Gaseous 3dTransition‐Metal Dichlorides
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Low-lying states of MX2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling;Physical Chemistry Chemical Physics;2020
2. Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au);Physical Chemistry Chemical Physics;2013
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