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A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced…

Other Condensed Matter · Physics 2011-08-20 Peter E. Blöchl

In the first part of the talk, I give a low-resolution overview of the current state of particle physics - the triumph of the Standard Model and its discontents. I review and re-endorse the remarkably direct and (to me) compelling argument…

High Energy Physics - Phenomenology · Physics 2011-04-20 Frank Wilczek

In this article, the notion of a mathematical model in science is attempted to be enlightened from several points of view. In particular, it is shown that mathematical models are introduced differently and used differently in different…

History and Overview · Mathematics 2022-05-25 Inge S. Helland

We present dynamical density functional theory results for the time evolution of the density distribution of a sedimenting model two-dimensional binary mixture of colloids. The interplay between the bulk phase behaviour of the mixture, its…

Soft Condensed Matter · Physics 2015-06-17 Alexandr Malijevsky , Andrew J. Archer

Quantum field theories with an energy gap can be approximated at long-range by topological quantum field theories. The same should be true for suitable condensed matter systems. For those with short range entanglement (SRE) the effective…

Strongly Correlated Electrons · Physics 2014-08-12 Daniel S. Freed

Usually, density functional models are considered approximations to density functional theory, However, there is no systematic connection between the two, and this can make us doubt about a linkage. This attitude can be further enforced by…

Chemical Physics · Physics 2020-11-10 Andreas Savin

Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…

Chemical Physics · Physics 2014-08-12 Paul E. Grabowski , Kieron Burke

The physical aspect of a general perturbation theory is explored. Its role as a physical principle for understanding the interaction among the matters with different levels of hierarchy is appreciated. It is shown that the general…

Chemical Physics · Physics 2007-05-23 Liqiang Wei

Starting with a formally exact diagrammatic kinetic theory for the equilibrium correlation functions of particle density and current fluctuations for a monatomic liquid, we develop a theory for high density liquids whose interatomic…

Statistical Mechanics · Physics 2015-06-17 Kevin R. Pilkiewicz , Hans C. Andersen

We combine density-functional theory with density-matrix functional theory to get the best of both worlds. This is achieved by range separation of the electronic interaction which permits to rigorously combine a short-range density…

Chemical Physics · Physics 2015-05-19 Daniel R. Rohr , Julien Toulouse , Katarzyna Pernal

Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…

Chemical Physics · Physics 2015-02-20 Odile Franck , Bastien Mussard , Eleonora Luppi , Julien Toulouse

We offer a systematic account of decomposition of quantum systems into parts. Different decompositions (structures) are mutually linked via the proper linear canonical transformations. Different kinds of structures, as well as their…

Quantum Physics · Physics 2014-06-03 Jasmina Jeknic-Dugic , Momir Arsenijevic , Miroljub Dugic

This paper argues that the physics of condensed matter cannot be fully reduced to the supposedly fundamental quantum mechanical theory for all the atoms of which the system consists. In fact, there are many reasons to reject the idea that…

History and Philosophy of Physics · Physics 2019-09-04 Barbara Drossel

We argue that space and space-time emerge as a consequence of dynamical collapse of the wave function of macroscopic objects. Locality and separability are properties of our approximate, emergent universe. At the fundamental level,…

Quantum Physics · Physics 2018-10-31 Tejinder P. Singh

Quantum theory is extremely successful in explaining most physical phenomena, and is not contradicted by any experiment. Yet, the theory has many puzzling features : the occurrence of probabilities, the unclear distinction between the…

Quantum Physics · Physics 2011-06-07 T. P. Singh

We investigate the representation of the geometrical information of the universe in terms of the eigenvalues of the Laplacian defined on the universe. We concentrate only on one specific problem along this line: To introduce a concept of…

General Relativity and Quantum Cosmology · Physics 2014-11-17 Masafumi Seriu

We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…

Other Condensed Matter · Physics 2009-11-13 F. A. Reboredo , P. R. C. Kent

What is the major difference between large and small systems? At small length-scales the dynamics is dominated by fluctuations, whereas at large scales fluctuations are irrelevant. Therefore, any thermodynamically consistent description of…

Statistical Mechanics · Physics 2025-01-13 Akira Sone , Kanu Sinha , Sebastian Deffner

A century after the advent of Quantum Mechanics and General Relativity, both theories enjoy incredible empirical success, constituting the cornerstones of modern physics. Yet, paradoxically, they suffer from deep-rooted, so-far intractable,…

Quantum Physics · Physics 2017-03-20 Elizabeth S. Gould , Niayesh Afshordi

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas