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The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT)…

Chemical Physics · Physics 2026-02-04 Timo Gräßer , Götz S. Uhrig

Open quantum Dicke models are paradigmatic systems for the investigation of light-matter interaction in out-of-equilibrium quantum settings. Albeit being structurally simple, these models can show intriguing physics. However, obtaining…

Statistical Mechanics · Physics 2021-07-15 Federico Carollo , Igor Lesanovsky

Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To address this shortcoming, in previous work we transformed DFT…

Chemical Physics · Physics 2023-01-02 Daniel Gibney , Jan-Niklas Boyn , David A. Mazziotti

The extended Dynamical Mean Field Equations (EDMFT) are analyzed using semiclassical methods for a model describing an interacting fermi-bose system. We compare the semiclassical approach with the exact QMC (Quantum Montecarlo) method. We…

Strongly Correlated Electrons · Physics 2009-11-07 Sergey Pankov , Gabriel Kotliar , Yukitoshi Motome

We develop a self-consistent first-principles framework for determining the screened Coulomb interaction strength (U) based on constrained dynamical mean-field theory (cDMFT). Unlike conventional approaches, this method incorporates…

Strongly Correlated Electrons · Physics 2026-01-21 Antik Sihi , Subhasish Mandal , Kristjan Haule

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

Nuclear Theory · Physics 2011-09-30 J. Dobaczewski

We derive a dynamical mean-field theory for mixtures of interacting bosons and fermions on a lattice (BF-DMFT). The BF-DMFT is a comprehensive, thermodynamically consistent framework for the theoretical investigation of Bose-Fermi mixtures…

Quantum Gases · Physics 2022-06-15 Krzysztof Byczuk , Dieter Vollhardt

Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…

Plasma Physics · Physics 2020-04-29 Giovanni Manfredi

Although real-world complex systems typically interact through sparse and heterogeneous networks, analytic solutions of their dynamics are limited to models with all-to-all interactions. Here, we solve the dynamics of a broad range of…

Disordered Systems and Neural Networks · Physics 2025-01-28 Fernando L. Metz

Classical density functional theory (cDFT) and dynamical density functional theory (DDFT) are modern statistical mechanical theories for modeling many-body colloidal systems at the one-body density level. The theories hinge on knowing the…

Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Materials Science · Physics 2023-04-21 Martin-Isbjörn Trappe , William C. Witt , Sergei Manzhos

We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the…

High Energy Physics - Lattice · Physics 2013-12-16 Oscar Akerlund , Philippe de Forcrand , Antoine Georges , Philipp Werner

We present a theoretical framework based on an extension of dynamical density functional theory (DDFT) for describing the structure and dynamics of cells in living tissues and tumours. DDFT is a microscopic statistical mechanical theory for…

Soft Condensed Matter · Physics 2018-09-03 Hayder M. Al-Saedi , Andrew J. Archer , John Ward

The classical Density Functional Theory (DFT) is introduced as an application of entropic inference for inhomogeneous fluids at thermal equilibrium. It is shown that entropic inference reproduces the variational principle of DFT when…

Statistical Mechanics · Physics 2021-09-14 Ahmad Yousefi , Ariel Caticha

A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum--classical dynamics, where a classical cavity field interacts self-consistently with quantum…

Chemical Physics · Physics 2023-12-13 Ming-Hsiu Hsieh , Alex Krotz , Roel Tempelaar

Motivated by the intriguing physics of quasi-2d fermionic systems, such as high-temperature superconducting oxides, layered transition metal chalcogenides or surface or interface systems, the development of many-body computational methods…

Strongly Correlated Electrons · Physics 2022-06-22 Steffen Backes , Jae-Hoon Sim , Silke Biermann

We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…

Strongly Correlated Electrons · Physics 2026-01-28 Chakradhar Rangi , Aadi Singh , Ka-Ming Tam

We develop the nonequilibrium extension of bosonic dynamical mean field theory (BDMFT) and a Nambu real-time strong-coupling perturbative impurity solver. In contrast to Gutzwiller mean-field theory and strong coupling perturbative…

Quantum Gases · Physics 2015-04-03 Hugo U. R. Strand , Martin Eckstein , Philipp Werner

We implement a multi-orbital cluster dynamical mean-field theory (DMFT), by improving a sample-update algorithm in the continuous-time quantum Monte Carlo method based on the interaction expansion. The proposed sampling scheme for the…

Strongly Correlated Electrons · Physics 2014-08-20 Yusuke Nomura , Shiro Sakai , Ryotaro Arita

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis
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