A molecular simulation study on the role of ion sizes and dielectric images in near-surface ion distribution far from the strong coupling limit

2012 ◽  
Vol 136 (23) ◽  
pp. 234701 ◽  
Author(s):  
Zhi-yong Wang ◽  
Yu-qiang Ma
Keyword(s):  
Molecular Simulation ◽  
Strong Coupling ◽  
Simulation Study ◽  
Strong Coupling Limit ◽  
Ion Distribution ◽  
Near Surface

scholarly journals Role of lipid composition on the structural and mechanical features of axonal membranes: a molecular simulation study

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Marzieh Saeedimasine ◽  
Annaclaudia Montanino ◽  
Svein Kleiven ◽  
Alessandra Villa
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Lipid Composition

Exchange-Correlation Energy Densities and Response Potentials: Connection Between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

2019 ◽  
Author(s):  
S. Giarrusso ◽  
Paola Gori-Giorgi
Keyword(s):  
Density Functional Theory ◽  
Strong Coupling ◽  
Density Functional ◽  
Correlation Energy ◽  
Order Term ◽  
Strong Coupling Limit ◽  
Local Form ◽  
Coupling Constant ◽  
Functional Theory ◽  
Exchange Correlation

We analyze in depth two widely used definitions (from the theory of conditional probablity amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn-Sham density functional theory. We introduce a local form of the coupling-constant-dependent Hohenberg-Kohn functional, showing that the difference between the two definitions is due to a corresponding local first-order term in the coupling constant, which disappears globally (when integrated over all space), but not locally. We also design an analytic representation for the response potential in the strong-coupling limit of density functional theory for a model single stretched bond.<br>

TOPOLOGY OF THE GRASSMANNIAN σ MODEL ON A LATTICE

1987 ◽  
Vol 02 (08) ◽  
pp. 601-608 ◽  
Author(s):  
T. FUKAI ◽  
M. V. ATRE
Keyword(s):  
Partition Function ◽  
Strong Coupling ◽  
Wilson Loop ◽  
Strong Coupling Limit ◽  
Topological Term

The Grassmannian σ model with a topological term is studied on a lattice. The θ dependence of the partition function and the Wilson loop are evaluated in the strong coupling limit. The latter is shown to be independent of the area at θ = π, as in the CPN−1 model.

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