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We review the role of self-consistency in density functional theory. We apply a recent analysis to both Kohn-Sham and orbital-free DFT, as well as to Partition-DFT, which generalizes all aspects of standard DFT. In each case, the analysis…

Chemical Physics · Physics 2016-11-22 Adam Wasserman , Jonathan Nafziger , Kaili Jiang , Min-Cheol Kim , Eunji Sim , Kieron Burke

We present experimental observations and a study of quantum dynamics of strongly interacting electronic spins, at room temperature in the solid state. In a diamond substrate, a single nitrogen vacancy (NV) center coherently interacts with…

Quantum Physics · Physics 2018-06-20 Emma L. Rosenfeld , Linh M. Pham , Mikhail D. Lukin , Ronald L. Walsworth

In this work, we analyze the fundamental question of what is the ensemble ground state of a general, finite, many-electron system at zero temperature, with a given, possibly fractional, electron number $N_{tot}$ and a given $z$-projection…

Materials Science · Physics 2026-03-09 Yuli Goshen , Eli Kraisler

A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…

Strongly Correlated Electrons · Physics 2009-11-13 Koichi Kusakabe , Naoshi Suzuki , Shusuke Yamanaka , Kizashi Yamaguchi

We extend the coupled-wire construction of quantum Hall phases, and search for fractional topological insulating states in models of weakly coupled wires at zero external magnetic field. Focussing on systems beyond double copies of…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Tobias Meng , Eran Sela

We introduce the boundary effect on the ground state as an attribute of general local spin systems that restricts the correlations in the ground state. To this end, we introduce what we call a boundary effect function, which characterises…

Quantum Physics · Physics 2015-05-19 Jaeyoon Cho

We consider the bipartite entanglement entropy of ground states of extended quantum systems with a large degeneracy. Often, as when there is a spontaneously broken global Lie group symmetry, basis elements of the lowest-energy space form a…

Statistical Mechanics · Physics 2013-05-30 Olalla A. Castro-Alvaredo , Benjamin Doyon

We study a driven-dissipative model of spins one-half (qubits) on a lattice with nearest-neighbor interactions. Focusing on the role of spatially extended spin-spin correlations in determining the phases of the system, we characterize the…

Quantum Physics · Physics 2020-08-12 Haggai Landa , Marco Schiró , Grégoire Misguich

Controlling electron spins strongly coupled to magnetic and nuclear spins in solid state systems is an important challenege in the field of spintronics and quantum computation. We show here that electron droplets with no net spin in…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Ramin M. Abolfath , Marek Korkusinski , Thomas Brabec , Pawel Hawrylak

Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

Chemical Physics · Physics 2025-04-02 Tim Gould

In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…

Materials Science · Physics 2013-04-03 Eli Kraisler , Leeor Kronik

Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…

Materials Science · Physics 2019-11-27 F. Ramírez-Ramírez , E. Flores-Olmedo , G. Báez , E. Sadurní , R. ~A. Méndez-Sánchez

The self-energy-functional approach (SFA) is discussed in the context of different variational principles for strongly correlated electron systems. Formal analogies between static and dynamical variational approaches, different types of…

Strongly Correlated Electrons · Physics 2015-06-25 Michael Potthoff

Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…

Chemical Physics · Physics 2015-06-12 Jason D. Goodpaster , Taylor A. Barnes , Frederick R. Manby , Thomas F. Miller

Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…

Chemical Physics · Physics 2023-03-29 Tim Gould , Derk P. Kooi , Paola Gori-Giorgi , Stefano Pittalis

Strategies to protect multi-qubit states against decoherence are difficult to formulate because of their complex many-body dynamics. A better knowledge of the decay dynamics would help in the construction of decoupling control schemes. Here…

Quantum Physics · Physics 2015-11-25 Gurneet Kaur , Ashok Ajoy , Paola Cappellaro

In the presence of spin-orbit interactions, the steady state established for spin distributions in an electric field is qualitatively different from the steady state for charge distributions. This is primarily because the steady state…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Dimitrie Culcer , Roland Winkler

Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in the newest hybrid functionals. In this Letter we treat the…

Chemical Physics · Physics 2021-04-01 Danny Gibney , Jan-Niklas Boyn , David A. Mazziotti

Fracton phases of matter feature a variety of exciting phenomena stemming from the restricted mobility of their quasiparticles. Here we consider a model of interacting electrons in one dimension that describes hopping of spin-singlet pairs…

Strongly Correlated Electrons · Physics 2021-02-03 Hernan B. Xavier , Rodrigo G. Pereira

We study systems that approach a state possessing discrete symmetry due to different degenerate realizations for the system. For concreteness, we consider fractionally filled systems where degeneracy comes from the presence of identical…

Mesoscale and Nanoscale Physics · Physics 2024-06-21 A. N. Grigorenko
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