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An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…

Chemical Physics · Physics 2009-11-10 L. Muehlbacher , J. Ankerhold , C. Escher

We have used low temperature scanning tunneling spectroscopy and atomic manipulation to study the role of surface-state electrons in the Kondo effect of an isolated cobalt atom adsorbed on Ag(111). We show that the observed Kondo signature…

Condensed Matter · Physics 2009-11-10 L. Limot , R. Berndt

Here, a dichotomy of particles and waves is employed in a quantum Monte Carlo calculation of interacting electrons. Through the creation and propagation of concurrent stochastic ensembles of walkers in physical space and in Hilbert space…

Quantum Physics · Physics 2025-10-24 Ivan P. Christov

We consider a two dimensional Kondo lattice model with exchange J and hopping t in which three out of four impurity spins are removed in a regular way. At the particle-hole symmetric point the model may be studied with auxiliary field…

Strongly Correlated Electrons · Physics 2013-05-29 F. F. Assaad

A continuous-time formulation of the Diffusion Monte Carlo method for lattice models is presented. In its simplest version, without the explicit use of trial wavefunctions for importance sampling, the method is an excellent tool for…

Strongly Correlated Electrons · Physics 2009-11-10 Olav F. Syljuasen

We perform quantum Monte Carlo simulations of the itinerant-localized periodic Kondo-Heisenberg model for the underdoped cuprates to calculate the associated spin correlation functions. The strong electron correlations are shown to play a…

Strongly Correlated Electrons · Physics 2016-12-14 Ilya Ivantsov , Alvaro Ferraz , Evgenii Kochetov

We study the thermal and non-thermal steady state scaling functions and the steady-state dynamics of a model of local quantum criticality. The model we consider, i.e. the pseudogap Kondo model, allows us to study the concept of effective…

Strongly Correlated Electrons · Physics 2015-12-10 P. Ribeiro , F. Zamani , S. Kirchner

Kondo effect is an example of asymptotic freedom where the antiferromagnetic coupling between a localized magnetic moment and valence electrons, increases with reducing temperature. The electronic spectral function for such a system…

Strongly Correlated Electrons · Physics 2015-10-13 S. Patil , A. Generalov , A. Omar

We consider a two-dimensional quantum spin system described by a Heisenberg model that is embedded in a three-dimensional metal. The two systems couple via an antiferromagnetic Kondo interaction. In such a setup, the ground state…

Strongly Correlated Electrons · Physics 2023-10-10 Zi Hong Liu , Bernhard Frank , Lukas Janssen , Matthias Vojta , Fakher F. Assaad

We study the low-temperature behavior of a magnetic impurity which is weakly coupled to correlated conduction electrons. To account for conduction electron interactions a diagrammatic approach in the frame of the 1/N expansion is developed.…

Strongly Correlated Electrons · Physics 2009-11-07 M. Neef , S. Tornow , V. Zevin , G. Zwicknagl

The phase diagram of the ferromagnetic Kondo model for manganites is investigated using computational techniques. In clusters of dimensions 1 and 2, Monte Carlo simulations in the limit where the localized spins are classical show a rich…

Strongly Correlated Electrons · Physics 2008-02-03 E. Dagotto , S. Yunoki , A. L. Malvezzi , A. Moreo , J. Hu , S. Capponi , D. Poilblanc , N. Furukawa

Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly…

Strongly Correlated Electrons · Physics 2011-05-09 Emanuel Gull , Andrew J. Millis , Alexander I. Lichtenstein , Alexey N. Rubtsov , Matthias Troyer , Philipp Werner

When a cerocene molecule is chemisorbed on metallic substrate, or when an asymmetric double dot is hybridized with itinerant electrons, its singlet ground state crosses its lowly excited triplet state, leading to a competition between the…

Strongly Correlated Electrons · Physics 2009-10-31 Konstantin Kikoin , Yshai Avishai

Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…

Quantum Physics · Physics 2007-09-24 Heinz-Peter Breuer , Bassano Vacchini

We present a quantum Monte Carlo method capable of sampling the full density matrix of a many-particle system at finite temperature. This allows arbitrary reduced density matrix elements and expectation values of complicated non-local…

Computational Physics · Physics 2015-06-15 N. S. Blunt , T. W. Rogers , J. S. Spencer , W. M. C. Foulkes

We propose a generalization of the Quantum Monte Carlo loop algorithm to the t-J model by a mapping to three coupled six-vertex models. The autocorrelation times are reduced by orders of magnitude compared to the conventional local…

Strongly Correlated Electrons · Physics 2007-05-23 Beat Ammon , Hans Gerd Evertz , Naoki Kawashima , Matthias Troyer , Beat Frischmuth

Monte Carlo sampling of any system may be analyzed in terms of an associated glass model -- a variant of the Random Energy Model -- with, whenever there is a sign problem, complex fields. This model has three types of phases (liquid, frozen…

Statistical Mechanics · Physics 2011-01-17 Gustavo During , Jorge Kurchan

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the…

Other Condensed Matter · Physics 2009-11-11 P. Umari , A. J. Williamson , Giulia Galli , Nicola Marzari

The unusual electronic and magnetic properties of the systems Ce$_3$Pd$_{20}$T$_6$ (T = Ge, Si) with two non-equivalent Ce positions are discussed. The logarithmic growth of resistance for both the systems confirms the presence of the Kondo…

Strongly Correlated Electrons · Physics 2015-04-27 V. N. Nikiforov , Yu. A. Koksharov , A. V. Gribanov , M. Baran , V. Yu. Irkhin

We apply the static auxiliary field Monte Carlo approach to study phase correlations of the pairing fields in a microscopic model with spin-singlet pairing interaction. We find that the short- and long-range phase correlations are well…

Superconductivity · Physics 2023-08-15 Qiong Qin , Jian-Jun Dong , Yutao Sheng , Dongchen Huang , Yi-feng Yang