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We present the combination of a complex-time tensor-network impurity solver with an analytic continuation scheme based on exponential fitting as an efficient framework for single and multi-orbital dynamical mean-field calculations. By…

Strongly Correlated Electrons · Physics 2025-12-30 Yang Yu , Lei Zhang , Emanuel Gull , Xiaodong Cao , Xinyang Dong

Hermite polynomials and functions have extensive applications in scientific and engineering problems. Although it is recognized that employing the scaled Hermite functions rather than the standard ones can remarkably enhance the…

Numerical Analysis · Mathematics 2026-05-06 Hao Hu , Haijun Yu

We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme. In this scheme the inter-orbital Coulomb interactions are…

Strongly Correlated Electrons · Physics 2015-05-30 Qingguo Feng , P. M. Oppeneer

We introduce a versatile method to compute electronic steady state properties of strongly correlated extended quantum systems out of equilibrium. The approach is based on dynamical mean-field theory (DMFT), in which the original system is…

Strongly Correlated Electrons · Physics 2013-03-05 Enrico Arrigoni , Michael Knap , Wolfgang von der Linden

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

We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox. This code can account for…

Strongly Correlated Electrons · Physics 2020-05-04 Edward B. Linscott , Daniel J. Cole , Nicholas D. M. Hine , Michael C. Payne , Cédric Weber

A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…

Strongly Correlated Electrons · Physics 2016-08-31 Daniel J. Garcia , Karen Hallberg , Marcelo J. Rozenberg

As a universal quantum mechanical approach to the dynamical many-body problem, the time-dependent density functional theory (TDDFT) might be inadequate to describe crucial observables that rely on two-body evolution behavior, like the…

Computational Physics · Physics 2025-11-17 Jiong-Hang Liang , Yunfeng Xiong

A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the…

Materials Science · Physics 2015-02-11 Eran Rabani , Roi Baer , Daniel Neuhauser

Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…

Materials Science · Physics 2021-02-18 Sijia S. Dong , Marco Govoni , Giulia Galli

Accurate prediction of muon hyperfine constants is useful for interpreting muon spin spectroscopy data, yet standard methods such as density functional theory (DFT) compute muon-electron pair density functions, and thus hyperfine constants,…

Chemical Physics · Physics 2026-03-06 Jamie Carr , Mathias Volkai , W. M. C. Foulkes , Andres Perez Fadon

Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…

Chemical Physics · Physics 2019-08-19 Stefan Vuckovic , Suhwan Song , John Kozlowski , Eunji Sim , Kieron Burke

In this paper we propose a new kind of high order numerical scheme for backward stochastic differential equations(BSDEs). Unlike the traditional $\theta$-scheme, we reduce truncation errors by taking $\theta$ carefully for every subinterval…

Numerical Analysis · Mathematics 2018-08-08 Chol-Kyu Pak , Mun-Chol Kim , Chang-Ho Rim

The mass spectrum of heavy pseudoscalar mesons, described as quark-antiquark bound systems, is considered within the Bethe-Salpeter formalism with momentum dependent masses of the constituents. This dependence is found by solving the…

Nuclear Theory · Physics 2010-12-27 S. M. Dorkin , T. Hilger , B. Kaempfer , L. P. Kaptari

For reliable and efficient inclusion of electron-electron correlation effects in nanosystems we propose a combined density-functional-theory/nonhomogeneous dynamical-mean-field-theory (DFT + DMFT) approach which employs an approximate…

Strongly Correlated Electrons · Physics 2013-11-14 Alamgir Kabir , Volodymyr Turkowski , Talat S. Rahman

Modern machine learning models are typically trained via multi-pass stochastic gradient descent (SGD) with small batch sizes, and understanding their dynamics in high dimensions is of great interest. However, an analytical framework for…

Machine Learning · Statistics 2026-02-17 Sota Nishiyama , Masaaki Imaizumi

Considering the fact that, a wide range of variation in masses of various states of heavy pseudoscalar and vector mesons can be seen in different models and the experimental data on masses of many of these states is not yet currently…

High Energy Physics - Phenomenology · Physics 2017-11-21 Hluf Negash , Shashank Bhatnagar

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a momentum dependent ``external'' self-energy S(k). This external self-energy describes non-local dynamical correlations…

Strongly Correlated Electrons · Physics 2009-11-11 M. V. Sadovskii , I. A. Nekrasov , E. Z. Kuchinskii , Th. Pruschke , V. I. Anisimov

We investigate the bounds which can be placed on generic new-physics contributions to dijet production at the LHC using the framework of the Standard Model Effective Field Theory, deriving the first consistently-treated EFT bounds from…

High Energy Physics - Phenomenology · Physics 2018-02-14 Stefan Alte , Matthias König , William Shepherd

The mass spectrum of heavy pseudoscalar mesons, described as quark-antiquark bound systems, is considered within the Bethe-Salpeter formalism with momentum-dependent masses of the constituents. This dependence is found by solving the…

Nuclear Theory · Physics 2011-03-07 S. M. Dorkin , T. Hilger , L. P. Kaptari , B. Kaempfer