Magnetic Relaxation in Single-Electron Single-Ion Cerium(III) Magnets: Insights from Ab Initio Calculations

2015 ◽  
Vol 21 (39) ◽  
pp. 13812-13819 ◽  
Author(s):  
Saurabh Kumar Singh ◽  
Tulika Gupta ◽  
Liviu Ungur ◽  
Gopalan Rajaraman
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Magnetic Relaxation ◽  
Single Electron

scholarly journals Single-electron description of the strong-field electron detachment of hydrogen negative ion

2016 ◽  
Vol 14 (1) ◽  
pp. 27-36
Author(s):  
Milan Milosevic ◽  
Nenad Simonovic
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Short Range ◽  
Strong Field ◽  
Single Electron ◽  
Negative Ion ◽  
Multiphoton Processes ◽  
Electron Detachment ◽  
Electron Model ◽  
Model Potentials

The applicability of the single-electron model in describing the electron detachment of the hydrogen negative ion in strong (static or laser) fields is examined. By comparing the values for the lowest state energies and detachment rates obtained using two different short-range model-potentials with the results of recent ab initio calculations using the full two-electron description (Milosevic and Simonovic, 2016), it is found that the single-electron description is applicable for the field intensities up to few hundred GW/cm2. This description, therefore, can be used for studying multiphoton processes or the electron detachment via tunneling at these field strengths, but fails in over-the-barrier regime.

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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