Lattice dynamics and thermodynamic properties ofNaAlH4: Density-functional calculations using a linear response theory

2006 ◽  
Vol 73 (18) ◽  
Author(s):  
A. Peles ◽  
M. Y. Chou
Keyword(s):  
Thermodynamic Properties ◽  
Density Functional Calculations ◽  
Linear Response ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Linear Response Theory ◽  
Response Theory

Lattice dynamics properties of chalcopyrite ZnSnP 2 : Density-functional calculations by using a linear response theory

2017 ◽  
Vol 26 (4) ◽  
pp. 046302 ◽  
Author(s):  
You Yu ◽  
Yu-Jing Dong ◽  
Yan-Hong Shen ◽  
Guo-Dong Zhao ◽  
Xiao-Lin Zheng ◽  
...  
Keyword(s):  
Density Functional Calculations ◽  
Linear Response ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Linear Response Theory ◽  
Response Theory

The von Weizsäcker Coefficient in Density Functional Theoryt

1976 ◽  
Vol 31 (8) ◽  
pp. 898-903 ◽  
Author(s):  
A. Meyer ◽  
Gwo-ching Wang ◽  
H. Young
Keyword(s):  
Harmonic Oscillator ◽  
Linear Response ◽  
Weak Coupling ◽  
Density Functional ◽  
Linear Response Theory ◽  
Weak Coupling Limit ◽  
Response Theory ◽  
Quality Of Results ◽  
Correct Energy

Abstract For any given potential, linear response theory tells us the size that the von Weizsäcker coefficient must assume in order to obtain the correct energy in the weak coupling limit. With this necessarily imposed choice, the quality of results is investigated as the coupling is strengthened. From the study of a number of model problems (the harmonic oscillator, the Yukawa well and the Mathieu potential) it is concluded that good results can be maintained to high couplings.

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