scholarly journals Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing

Author(s):  
Péter Kovács ◽  
Fabien Tran ◽  
Allan Hanbury ◽  
Georg K. H. Madsen
2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.


2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,

1997 ◽  
Vol 91 (3) ◽  
pp. 555-559 ◽  
Author(s):  
KRISHNAN RAGHAVACHARI ◽  
BORIS STEFANOV ◽  
LARRY CURTISS
Keyword(s):  

1997 ◽  
Vol 92 (3) ◽  
pp. 477-487 ◽  
Author(s):  
GERALD LIPPERT ◽  
JuRG HUTTER ◽  
MICHELE PARRINELLO

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