Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems

2018 ◽  
Vol 14 (8) ◽  
pp. 4320-4334 ◽  
Author(s):  
Adam Kubas ◽  
Max Verkamp ◽  
Josh Vura-Weis ◽  
Frank Neese ◽  
Dimitrios Maganas
Keyword(s):  
Absorption Spectroscopy ◽  
Configuration Interaction ◽  
Open Shell ◽  
X Ray ◽  
Chemical Systems ◽  
X Ray Absorption

Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study

2014 ◽  
Vol 16 (15) ◽  
pp. 7031-7036 ◽  
Author(s):  
Yu̅suke Nanba ◽  
Daisuke Asakura ◽  
Masashi Okubo ◽  
Haoshen Zhou ◽  
Kenta Amemiya ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Sodium Nitroprusside ◽  
Absorption Spectroscopy ◽  
Configuration Interaction ◽  
Cluster Model ◽  
Spectroscopy Study ◽  
Transfer Effects ◽  
X Ray ◽  
X Ray Absorption

The electronic structure of Na2[Fe(CN)5NO]·2H2O (sodium nitroprusside: SNP) was investigated by using soft X-ray absorption (XA) spectroscopy and a configuration-interaction full-multiplet calculation for the [Fe(CN)5NO]2−cluster model.

scholarly journals Towards structural dynamics in condensed chemical systems exploiting ultrafast time-resolved x-ray absorption spectroscopy

2002 ◽  
Vol 116 (7) ◽  
pp. 2955-2966 ◽  
Author(s):  
Christian Bressler ◽  
Melanie Saes ◽  
Majed Chergui ◽  
Daniel Grolimund ◽  
Rafael Abela ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Structural Dynamics ◽  
Time Resolved ◽  
X Ray ◽  
Chemical Systems ◽  
X Ray Absorption

Ultrafast time‐resolved X‐ray absorption spectroscopy of chemical systems

2003 ◽  
Vol 16 (4) ◽  
pp. 12-20 ◽  
Author(s):  
Melanie Saes ◽  
Wojciech Gawelda ◽  
Maik Kaiser ◽  
Alexander Tarnovsky ◽  
Christian Bressler ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Time Resolved ◽  
X Ray ◽  
Chemical Systems ◽  
X Ray Absorption

scholarly journals L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz

2014 ◽  
Vol 16 (1) ◽  
pp. 264-276 ◽  
Author(s):  
Dimitrios Maganas ◽  
Michael Roemelt ◽  
Thomas Weyhermüller ◽  
Raoul Blume ◽  
Michael Hävecker ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Open Shell ◽  
Vanadium Complexes ◽  
Absorption Study ◽  
X Ray ◽  
X Ray Absorption
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