AB INITIO CALCULATIONS OF THE CHARGE STATE OF A FAST HEAVY ION STOPPING IN A FINITE TEMPERATURE TARGET

1983 ◽  
Vol 44 (C8) ◽  
pp. C8-149-C8-158 ◽  
Author(s):  
D. Bailey ◽  
Y. T. Lee ◽  
R. M. More
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Charge State ◽  
Finite Temperature ◽  
Heavy Ion

scholarly journals Sparse sampling approach to efficient ab initio calculations at finite temperature

2020 ◽  
Vol 101 (3) ◽  
Author(s):  
Jia Li ◽  
Markus Wallerberger ◽  
Naoya Chikano ◽  
Chia-Nan Yeh ◽  
Emanuel Gull ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Finite Temperature ◽  
Sparse Sampling ◽  
Sampling Approach

Finite-temperature property-maps of Li–Mn–Ni–O cathode materials from ab initio calculations

2018 ◽  
Vol 6 (14) ◽  
pp. 5687-5694 ◽  
Author(s):  
Jan-Michael Albina ◽  
Anika Marusczyk ◽  
Thomas Hammerschmidt ◽  
Thomas Eckl ◽  
Ralf Drautz
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Cathode Materials ◽  
Finite Temperature ◽  
Electrode Materials ◽  
Temperature Property ◽  
Ni Content ◽  
Property Map

Property map of the voltage for Li–Mn–Ni–O electrode materials as a function of the ratio of Li2MnO3·LiMnO2 and the Ni content in LiMnO2 at T = 300 K.

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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