Collision-induced dipoles and polarizabilities of pairs of hydrogen molecules: Ab initio calculations and results from spherical tensor analysis

2012 ◽  
Author(s):  
Xiaoping Li ◽  
James F. Harrison ◽  
Magnus Gustafsson ◽  
Fei Wang ◽  
Martin Abel ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Tensor Analysis ◽  
Hydrogen Molecules ◽  
Induced Dipoles

scholarly journals Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials

2016 ◽  
Vol 120 (27) ◽  
pp. 5315-5324 ◽  
Author(s):  
Alessandra F. Albernaz ◽  
Vincenzo Aquilanti ◽  
Patricia R. P. Barreto ◽  
Concetta Caglioti ◽  
Ana Claudia P. S. Cruz ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spherical Harmonics ◽  
Intermolecular Potentials ◽  
Hydrogen Molecules

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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