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Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

Chemical Physics · Physics 2019-07-10 Tim Gould , Stefano Pittalis

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose…

Materials Science · Physics 2026-04-29 Michael Lorke

The collective response of a system is profoundly shaped by the interaction dynamics between its constituent elements. In physics, tailoring these interactions can enable the observation of unusual phenomena that are otherwise inaccessible…

We derive a widely-applicable first principles approach for determining two-body, static effective interactions for low-energy Hamiltonians with quantitative accuracy. The algebraic construction rigorously conserves all instantaneous…

Strongly Correlated Electrons · Physics 2024-03-19 Charles J. C. Scott , George H. Booth

The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…

Other Condensed Matter · Physics 2016-08-16 J. Jung , P. García-González , J. E. Alvarellos , R. W. Godby

The aim of this paper is to deal with multi-physics simulation of micro-electro-mechanical systems (MEMS) based on an advanced numerical methodology. MEMS are very small devices in which electric as well as mechanical and fluid phenomena…

Other Computer Science · Computer Science 2007-11-29 V. Rochus , J. -C. Golinval , C. Louis , C. Mendez , I. Klapka

An accurate determination of the electron correlation energy is essential for describing the structure, stability, and function in a wide variety of systems, ranging from gas-phase molecular assemblies to condensed matter and…

Chemical Physics · Physics 2014-03-05 Alberto Ambrosetti , Anthony M. Reilly , Robert A. DiStasio , Alexandre Tkatchenko

The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…

Chemical Physics · Physics 2007-12-13 F. P. Rosselli , A. B. F. da Silva , K. Capelle

Interfaces between dissimilar materials control the transport of energy in a range of technologies including solar cells (electron transport), batteries (ion transport), and thermoelectrics (heat transport). Advances in computer power and…

Materials Science · Physics 2018-12-06 Ji-Sang Park , Young-Kwang Jung , Keith T. Butler , Aron Walsh

Recent numerical advances in the field of strongly correlated electron systems allow the calculation of the entanglement spectrum and entropies for interacting fermionic systems. An explicit determination of the entanglement (modular)…

Strongly Correlated Electrons · Physics 2018-11-16 Francesco Parisen Toldin , Fakher F. Assaad

Schemes of classical shadows have been developed to facilitate the read-out of digital quantum devices, but similar tools for analog quantum simulators are scarce and experimentally impractical. In this work, we provide a measurement scheme…

Quantum Physics · Physics 2024-12-18 Janek Denzler , Antonio Anna Mele , Ellen Derbyshire , Tommaso Guaita , Jens Eisert

Multiplicity correlation measurements provide insight into the dynamics of high energy collisions. Models describing these collisions need these correlation measurements to tune the strengths of the underlying QCD processes which influence…

Nuclear Experiment · Physics 2016-04-27 K. Gulbrandsen , C. Soegaard

The electromagnetic interactions of electrons and muons can be described to very high accuracy within the framework of standard theory, in particular within the hydrogen-like muonium atom. Therefore precision measurements allow to test…

Atomic Physics · Physics 2016-09-08 Klaus Jungmann

The fermionic exchange energy of ultracold ions is computed. It is shown that this effect allows to increase the ion coupling in traps by about an order of magnitude compared to the classical case.

Plasma Physics · Physics 2007-05-23 M. Bonitz , D. Semkat

Euclidean distance matrices (EDM) are matrices of squared distances between points. The definition is deceivingly simple: thanks to their many useful properties they have found applications in psychometrics, crystallography, machine…

Other Computer Science · Computer Science 2016-11-15 Ivan Dokmanic , Reza Parhizkar , Juri Ranieri , Martin Vetterli

We propose simple schemes that can perfectly identify projective measurement apparatus secretly chosen from a finite set. Entanglements are used in these schemes both to make possible the perfect identification and to improve the efficiency…

Quantum Physics · Physics 2007-05-23 Zhengfeng Ji , Yuan Feng , Runyao Duan , Mingsheng Ying

Exchange couplings are fundamental to our understanding of many physical phenomena in condensed matter physics and material science. Model systems provide a controlled environment to investigate such phenomena, effectively. In this study,…

Materials Science · Physics 2024-11-26 Mahnaz Rezaei , Jahanfar Abouie , Fariba Nazari

Most periodic systems are governed by short-range interactions as long-range interactions in these systems diminish uniformly. In this letter, however, we demonstrate that this is not true for a more general class of systems, which possess…

Strongly Correlated Electrons · Physics 2026-01-12 Junmo Jeon , SungBin Lee

The mechanism of fermionic pairing is the key to understanding various phenomena such as high-temperature superconductivity and the pseudogap phase in cuprate materials. We study the pair correlations in the attractive Hubbard model using…

Quantum Gases · Physics 2020-05-20 C. F. Chan , M. Gall , N. Wurz , M. Köhl

The effective Lagrangian of arbitrary varying in space electromagnetic field in a dense medium is derived. It has been used for investigation of interaction between charged fermions in the medium. It is shown the possibility for the…

High Energy Physics - Theory · Physics 2009-10-28 V. V. Skalozub , A. Y. Tishchenko
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