scholarly journals Density functional theory of a trapped Bose gas with tunable scattering length: From weak-coupling to unitarity

2015 ◽  
Vol 224 (3) ◽  
pp. 565-569 ◽  
Author(s):  
M. Rossi ◽  
F. Ancilotto ◽  
L. Salasnich ◽  
F. Toigo
Keyword(s):  
Density Functional Theory ◽  
Weak Coupling ◽  
Density Functional ◽  
Scattering Length ◽  
Bose Gas ◽  
Functional Theory

Significantly enhanced thermoelectric performance in intermediate weak-coupling C8-BTBT molecular junction with p/n type electrode doping

2021 ◽  
Author(s):  
Bei Zhang ◽  
shidong zhang ◽  
Jiwei Dong ◽  
Yaoxing Sun ◽  
Fangping Ouyang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Weak Coupling ◽  
Density Functional ◽  
Phonon Transport ◽  
Thermoelectric Performance ◽  
Molecular Junction ◽  
Functional Theory ◽  
Delicate Balance ◽  
Central Molecule

For single-molecular junction, inherent energy mismatch between central molecule and electrodes requires a delicate balance between electronic and phonon transport properties. Based on a combination of density functional theory and...

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

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.

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory
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