## Abstract The photochromic and acidochromic shifts undergone by recently synthesized diarylethene photochromes have been simulated using a TimeβDependent Density Functional Theory approach relying on a rangeβseparated functional, namely CAMβB3LYP. The selected approach is generally accurate for r
β¦ LIBER β¦
Ab initio studies of optical and magneto-optical spectra in 3d- and 4f-atom-based compounds
β Scribed by Yu.A. Uspenskii; E.T. Kulatov; S.V. Halilov
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 222 KB
- Volume
- 241
- Category
- Article
- ISSN
- 0378-4371
No coin nor oath required. For personal study only.
β¦ Synopsis
Ab initio magneto-optical (MO) calculations were carried out for three groups of the 3d-and 4f-atom-based ferromagnetic compounds. The results obtained show a good agreement with the experimental spectra of the MO Kerr and Faraday effects. To study the mechanism of the MO spectra formation, numerical experiments were conducted and the trends in the MO spectra of the compounds were explained in terms of their electronic structure.
π SIMILAR VOLUMES
Ab initio modeling of optical spectra in
β
FranΓ§ois Maurel; AurΓ©lie Perrier; Denis Jacquemin
π
Article
π
2011
π
John Wiley and Sons
π
English
β 574 KB
Magneto-optical activity and luminescenc
β
A.V. Malakhovskii; U.V. Valiev; I.S. Edelman; A.E. Sokolov; I.Yu. Chesnokov; I.A
π
Article
π
2010
π
Elsevier Science
π
English
β 349 KB
Magneto-optical effects in relation to e
β
M. Campagna; J.-N. Chazalviel; G.K. Wertheim; P.H. Schmidt
π
Article
π
1977
π
Elsevier Science
β 216 KB
Note on the magnetic and magneto-optical
β
Buschow, K. H. J. ;van Engen, P. G.
π
Article
π
1983
π
John Wiley and Sons
π
English
β 366 KB
Infrared and ab initio studies of compou
β
D.C. McKean; I. Torto; James E. Boggs; Kangnian Fan
π
Article
π
1992
π
Elsevier Science
π
English
β 628 KB
EPR and optical absorption study of VO2+
β
O.P. Agarwal; Prem Chand
π
Article
π
1985
π
Elsevier Science
π
English
β 451 KB
π 1 views