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

2020 ◽  
Vol 124 (12) ◽  
pp. 2473-2482
Author(s):  
Sara Giarrusso ◽  
Paola Gori-Giorgi
Keyword(s):  
Strong Coupling ◽  
Analytical Model ◽  
Correlation Energy ◽  
Strong Coupling Limit ◽  
Exchange Correlation

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>

scholarly journals 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>

Inelastic scattering at surfaces and interfaces

1986 ◽  
Vol 44 ◽  
pp. 392-393
Author(s):  
R. H. Ritchie ◽  
A. Howie
Keyword(s):  
Inelastic Scattering ◽  
Surface Properties ◽  
Correlation Energy ◽  
Condensed Matter ◽  
Charged Particles ◽  
Condensed Matter Physics ◽  
Optical Phonons ◽  
Exchange Correlation ◽  
Surfaces And Interfaces ◽  
Inelastic Interactions

An important part of condensed matter physics in recent years has involved detailed study of inelastic interactions between swift electrons and condensed matter surfaces. Here we will review some aspects of such interactions.Surface excitations have long been recognized as dominant in determining the exchange-correlation energy of charged particles outside the surface. Properties of surface and bulk polaritons, plasmons and optical phonons in plane-bounded and spherical systems will be discussed from the viewpoint of semiclassical and quantal dielectric theory. Plasmons at interfaces between dissimilar dielectrics and in superlattice configurations will also be considered.

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.

scholarly journals Fundamental limitations of the mode temperature concept in strongly coupled systems

2020 ◽  
Vol 75 (8) ◽  
pp. 803-807
Author(s):  
Svend-Age Biehs ◽  
Achim Kittel ◽  
Philippe Ben-Abdallah
Keyword(s):  
Heat Transfer ◽  
Heat Exchange ◽  
Strong Coupling ◽  
Quantum Systems ◽  
Coupled Systems ◽  
Strong Coupling Limit ◽  
Strongly Coupled ◽  
Fundamental Limitations ◽  
Temperature Concept ◽  
Vacuum Gap

AbstractWe theoretically analyze heat exchange between two quantum systems in interaction with external thermostats. We show that in the strong coupling limit the widely used concept of mode temperatures loses its thermodynamic foundation and therefore cannot be employed to make a valid statement on cooling and heating in such systems; instead, the incorrectly applied concept may result in a severe misinterpretation of the underlying physics. We illustrate these general conclusions by discussing recent experimental results reported on the nanoscale heat transfer through quantum fluctuations between two nanomechanical membranes separated by a vacuum gap.

scholarly journals Approaching the strong coupling limit in single plasmonic nanorods interacting with J-aggregates

2013 ◽  
Vol 3 (1) ◽  
Author(s):  
Gülis Zengin ◽  
Göran Johansson ◽  
Peter Johansson ◽  
Tomasz J. Antosiewicz ◽  
Mikael Käll ◽  
...  
Keyword(s):  
Strong Coupling ◽  
Strong Coupling Limit ◽  
J Aggregates

Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy

1998 ◽  
Vol 58 (2) ◽  
pp. 993-1000 ◽  
Author(s):  
A. Facco Bonetti ◽  
E. Engel ◽  
R. M. Dreizler ◽  
I. Andrejkovics ◽  
H. Müller
Keyword(s):  
Correlation Energy ◽  
Pair Correlation ◽  
Energy Functional ◽  
Exchange Correlation ◽  
Gauge Dependence

Exchange-Correlation Energy as a Function of the Orbital Occupancies

2002 ◽  
pp. 253-261
Author(s):  
P. Pou ◽  
R. Oszwaldowski ◽  
R. Pérez ◽  
F. Flores ◽  
J. Ortega
Keyword(s):  
Correlation Energy ◽  
Exchange Correlation
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