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We introduce a system-independent method to derive effective atomic C$_6$ coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in…

Materials Science · Physics 2016-09-05 Martin Stöhr , Georg S. Michelitsch , John C. Tully , Karsten Reuter , Reinhard J. Maurer

The exact equations of motion for microscopic density of classical particles number with account of inter-particle interactions and external field in closed form are derived. An integral equation for equilibrium distributions of the…

Statistical Mechanics · Physics 2014-07-18 A. Yu. Zakharov

Quantum simulations of photoexcited low-dimensional systems are pivotal for understanding how to functionalize and integrate novel two-dimensional (2D) materials in next-generation optoelectronic devices. First principles predictions are…

Mesoscale and Nanoscale Physics · Physics 2023-05-15 Enrico Perfetto , Gianluca Stefanucci

We introduce an electron-photon exchange-correlation functional for quantum electrodynamical density-functional theory (QEDFT). The approach, photon MBD (pMBD), is inspired by the many-body dispersion (MBD) method for weak intermolecular…

Chemical Physics · Physics 2025-12-23 Cankut Tasci , Leonardo A. Cunha , Johannes Flick

We study the energy distribution in the extended resonant level model at equilibrium. Previous investigations [Phys. Rev. B {\bf 89}, 161306 (2014), Phys. Rev. B {\bf 93}, 115318 (2016)] have found, for a resonant electronic level…

Mesoscale and Nanoscale Physics · Physics 2016-07-26 Maicol A. Ochoa , Anton Bruch , Abraham Nitzan

The thermodynamic properties of bosons moving in a harmonic trap in an arbitrary number of dimensions are investigated in the grand canonical, canonical and microcanonical ensembles by applying combinatorial techniques developed earlier in…

Condensed Matter · Physics 2007-05-23 K. C. Chase , A. Z. Mekjian , L. Zamick

Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel…

Quantum Physics · Physics 2022-03-24 E. O. Jobunga

Exact ground-state properties are presented by combining the diagonalization in the Fock space (and taking all hopping integrals and all two-site interactions) with the ab initio optimization of the Wannier functions. Electrons are…

Strongly Correlated Electrons · Physics 2007-05-23 Jozef Spalek , Adam Rycerz

The calculation of interaction integrals is a bottleneck for the treatment of many-body quantum systems due to its high numerical cost. We conduct configuration interaction calculations of the few-electron states confined in III-V…

Computational Physics · Physics 2020-08-13 Alina Mreńca-Kolasińska , Krzysztof Kolasiński , Bartłomiej Szafran

We establish a novel approach to probing spatially resolved multi-time correlation functions of interacting many-body systems, with scalable experimental overhead. Specifically, designing nonlinear measurement protocols for multidimensional…

Quantum Physics · Physics 2014-10-07 M. Gessner , F. Schlawin , H. Haeffner , S. Mukamel , A. Buchleitner

The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…

Materials Science · Physics 2025-10-24 Lorenzo Monacelli , Antonio Siciliano , Nicola Marzari

We explore a few-body mixture of two bosonic species confined in quasi-one-dimensional parabolic traps of different length scales. The ground state phase diagrams in the three-dimensional parameter space spanned by the harmonic length scale…

Quantum Gases · Physics 2020-08-12 Maxim Pyzh , Peter Schmelcher

Quantum information theory has considerably helped in the understanding of quantum many-body systems. The role of quantum correlations and in particular, bipartite entanglement, has become crucial to characterise, classify and simulate…

Quantum Physics · Physics 2018-07-27 Gabriele De Chiara , Anna Sanpera

We consider a model of three electrons and one hole confined in a two-dimensional (2D) plane, interacting with one another through Coulomb forces. Using a Ritz variational method we find an upper bound of \approx -0.0112me^4/8\pi^2 \epsilon…

Strongly Correlated Electrons · Physics 2007-05-23 Nie Luo

Statistics of many particle energy levels of a finite two-dimensional system of interacting electrons is numerically studied. It is shown that the statistics of these levels undergoes a Poisson to Wigner crossover as the strength of the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 R. Berkovits , B. I. Shklovskii

We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of…

Disordered Systems and Neural Networks · Physics 2007-05-23 Chien-Yu Tsau , Diu Nghiem , Robert Joynt , J. Woods Halley

The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…

Quantum Physics · Physics 2025-12-23 Antonio Palamara , Francesco Plastina , Antonello Sindona , Irene D'Amico

The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…

Atomic Physics · Physics 2008-10-23 V. V. Kavera

We obtain the exact ground state and a part of the excitation spectrum in one dimension on a line and the exact ground state on a circle in a case where N particles are interacting via nearest- and next-to-nearest neighbour interactions.…

Condensed Matter · Physics 2009-10-31 Guy Auberson , Sudhir R. Jain , Avinash Khare

Many-body localization is a striking mechanism that prevents interacting quantum systems from thermalizing. The absence of thermalization behaviour manifests itself, for example, in a remanence of local particle number configurations, a…

Strongly Correlated Electrons · Physics 2020-12-30 Augustine Kshetrimayum , Marcel Goihl , Jens Eisert