scholarly journals Theoretical study of lithium clusters by electronic stress tensor

AIP Advances ◽  
2012 ◽  
Vol 2 (4) ◽  
pp. 042195 ◽  
Author(s):  
Kazuhide Ichikawa ◽  
Hiroo Nozaki ◽  
Naoya Komazawa ◽  
Akitomo Tachibana
Keyword(s):  
Stress Tensor ◽  
Theoretical Study ◽  
Lithium Clusters

scholarly journals Inverted-sandwich-type and open-lantern-type dinuclear transition metal complexes: theoretical study of chemical bonds by electronic stress tensor

2011 ◽  
Vol 130 (2-3) ◽  
pp. 237-250 ◽  
Author(s):  
Kazuhide Ichikawa ◽  
Ayumu Wagatsuma ◽  
Yusaku I. Kurokawa ◽  
Shigeyoshi Sakaki ◽  
Akitomo Tachibana
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Stress Tensor ◽  
Transition Metal Complexes ◽  
Theoretical Study ◽  
Chemical Bonds ◽  
Sandwich Type

scholarly journals Theoretical study of lithium ionic conductors by electronic stress tensor density and electronic kinetic energy density

2016 ◽  
Vol 37 (20) ◽  
pp. 1924-1934 ◽  
Author(s):  
Hiroo Nozaki ◽  
Yosuke Fujii ◽  
Kazuhide Ichikawa ◽  
Taku Watanabe ◽  
Yuichi Aihara ◽  
...  
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Stress Tensor ◽  
Theoretical Study ◽  
Kinetic Energy Density ◽  
Ionic Conductors ◽  
Tensor Density

Theoretical study of the structure of lithium clusters

2003 ◽  
Vol 119 (18) ◽  
pp. 9444-9454 ◽  
Author(s):  
René Fournier ◽  
Joey Bo Yi Cheng ◽  
Anna Wong
Keyword(s):  
Theoretical Study ◽  
Lithium Clusters

3-D bond-paths of QTAIM and the stress tensor in neutral lithium clusters, Lim (m = 2–5), presented on the Ehrenfest force molecular graph

2020 ◽  
Vol 22 (2) ◽  
pp. 864-877 ◽  
Author(s):  
Alireza Azizi ◽  
Roya Momen ◽  
Steven R. Kirk ◽  
Samantha Jenkins
Keyword(s):  
Stress Tensor ◽  
Molecular Graph ◽  
Left And Right ◽  
Bottom Left ◽  
Lithium Clusters

Top left: Ehrenfest Force F(r) ∇ρ(r)·σ(r) trajectory map for Li4. Top right: The {qFA,qFA′} path-packets are presented on the F(r) molecular graph. Bottom left and right: The {qF,qF′} and {qσHF,qσHF′} path-packets, using QTAIM on the F(r) molecular graph, the green circles indicate (BCPs).

scholarly journals Theoretical Study of Mixed Silicon−Lithium Clusters SinLip(+)(n= 1−6,p= 1−2)

2006 ◽  
Vol 110 (18) ◽  
pp. 6032-6038 ◽  
Author(s):  
C. Sporea ◽  
F. Rabilloud ◽  
X. Cosson ◽  
A. R. Allouche ◽  
M. Aubert-Frécon
Keyword(s):  
Theoretical Study ◽  
Lithium Clusters
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