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A new approach for calculating spectral density functions of strongly correlated electron systems is proposed within the exact diagonalization method of dynamical mean-field theory (DMFT). This approach is based on the analytic continuation…

Strongly Correlated Electrons · Physics 2016-10-05 Song-Jin O , Hak-Chol Pak , Kwang-Il Ryom , Song-Jin Im

Ensemble density functional theory (EDFT) is a promising alternative to time-dependent density functional theory for computing electronic excitation energies. Using coordinate scaling, we prove several fundamental exact conditions in EDFT…

Strongly Correlated Electrons · Physics 2023-07-04 Thais R. Scott , John Kozlowski , Steven Crisostomo , Aurora Pribram-Jones , Kieron Burke

The reliable extraction of information from two-proton correlation functions is a long-standing problem in two-particle interferometry. Recently introduced imaging techniques give one the ability to reconstruct source functions from the…

Nuclear Theory · Physics 2011-07-19 S. Y. Panitkin , D. A. Brown

It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to…

Condensed Matter · Physics 2009-10-22 G. Vignale

The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…

Materials Science · Physics 2017-08-23 M. Ya. Amusia , A. Z. Msezane , V. R. Shaginyan

We propose a new type of effective densities via the potential distribution theorem. These densities are for the sake of enabling the mapping of the free energy of a uniform fluid onto that of a nonuniform fluid. The potential distribution…

Soft Condensed Matter · Physics 2012-02-21 L. L. Lee , G. Pellicane

A recently developed approach, conditional probability density functional theory (CP-DFT), yields direct access to the exchange-correlation hole of a system, an important correlation function that is not available from any standard DFT…

Materials Science · Physics 2026-05-14 Peiwei You , Ryan Pederson , Kieron Burke , E. K. U. Gross

Answering a question of Lindholm, we prove strict density inequalities for sampling and interpolation in Fock spaces of entire functions in several complex variables defined by a plurisubharmonic weight. In particular, these spaces do not…

Classical Analysis and ODEs · Mathematics 2020-04-17 Karlheinz Gröchenig , Antti Haimi , Joaquim Ortega-Cerdà , José Luis Romero

Wavefunction correlations and density matrices for few or many particles are derived from the properties of semiclassical energy Green functions. Universal features of fixed energy (microcanonical) random wavefunction correlation functions…

Quantum Physics · Physics 2009-11-13 Eric J. Heller , Brian R. Landry

By solving the equations of motion of massive $p$-form potential in Anti-de-Sitter space and using the $AdS/CFT$ correspondence of Maldacena, the generating functional of two-point correlation functions of the currents is obtained. When the…

High Energy Physics - Theory · Physics 2009-10-31 W. S. l'Yi

The utilization of spin-echo small angle neutron scattering (SESANS) for the analysis of structures in soft matter is becoming increasingly prevalent. In this context, the Gaussian chain model and the corresponding framework for calculating…

Chemical Physics · Physics 2023-05-26 Tengfei Cui , Xiangqiang Chu

We propose a new and general method for deriving exact density functionals in one dimension for lattice gases with finite-range pairwise interactions. Corresponding continuum functionals are derived by applying a proper limiting procedure.…

Statistical Mechanics · Physics 2007-05-23 Joachim Buschle , Philipp Maass , Wolfgang Dieterich

Consistency relations involving the soft limit of the (n + 1)-correlator functions of dark matter and galaxy overdensities can be obtained, both in real and redshift space, thanks to the symmetries enjoyed by the Newtonian equations of…

Cosmology and Nongalactic Astrophysics · Physics 2015-06-17 Alexandros Kehagias , Jorge Noreña , Hideki Perrier , Antonio Riotto

Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation functionals that produce even…

Chemical Physics · Physics 2017-09-26 Yang Yang , Kurt R. Brorsen , Tanner Culpitt , Michael V. Pak , Sharon Hammes-Schiffer

Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…

Quantum Physics · Physics 2015-06-04 Daniel L. Whitenack , Adam Wasserman

Standard approximations for the exchange-correlation functional have been found to give big errors for the linearity condition of fractional charges, leading to delocalization error, and the constancy condition of fractional spins, leading…

Strongly Correlated Electrons · Physics 2009-11-13 Paula Mori-Sanchez , Aron J. Cohen , Weitao Yang

In important early work, Stell showed that one can determine the pair correlation function h(r) of the hard sphere fluid for all distances r by specifying only the "tail" of the direct correlation function c(r) at separations greater than…

Statistical Mechanics · Physics 2007-05-23 Kirill Katsov , John D. Weeks

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

A sufficiently damped iteration of the Kohn-Sham equations with the exact functional is proven to always converge to the true ground-state density, regardless of the initial density or the strength of electron correlation, for finite…

Materials Science · Physics 2013-08-30 Lucas O. Wagner , E. M. Stoudenmire , Kieron Burke , Steven R. White

The correlated density appears in many physical systems ranging from dense interacting gases up to Fermi liquids which develop a coherent state at low temperatures, the superconductivity. One consequence of the correlated density is the…

Superconductivity · Physics 2008-11-26 Klaus Morawetz , Pavel Lipavský , Jan Koláček , Ernst Helmut Brandt , Michael Schreiber