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We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio molecular dynamics simulations with…

Computational Physics · Physics 2024-11-21 Phanish Suryanarayana , Arpit Bhardwaj , Xin Jing , Shashikant Kumar , John E. Pask

Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…

Plasma Physics · Physics 2016-03-23 K. P. Driver , B. Militzer

We study thermodynamic properties and the electrical conductivity of dense hydrogen and deuterium using three methods: classical reactive Monte Carlo (REMC), direct path integral Monte Carlo (PIMC) and a quantum dynamics method in the…

Plasma Physics · Physics 2015-05-13 V. S. Filinov , P. R. Levashov , A. V. Boţan , M. Bonitz , V. E. Fortov

We present for the first time time-dependent density-matrix renormalization-group simulations (t-DMRG) at finite temperatures. It is demonstrated how a combination of finite-temperature t-DMRG and time-series prediction allows for an easy…

Strongly Correlated Electrons · Physics 2009-07-28 Thomas Barthel , Ulrich Schollwöck , Steven R. White

A quantum wire of uniform cross section (but with eventual disorder) with three regions: dot, left lead, and right lead, is considered. Assuming that the same unitary transformation diagonalizes all unit cells of this wire, we propose a new…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Mohammad Mardaani , Keivan Esfarjani

We propose a new method for the calculation of thermodynamic properties of one-dimensional quantum systems by combining the TMRG approach with the corner transfer-matrix method. The corner transfer-matrix DMRG method brings reasonable…

Strongly Correlated Electrons · Physics 2009-11-13 Erik Bartel , Andreas Schadschneider

The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…

Strongly Correlated Electrons · Physics 2023-09-13 G. Catarina , Bruno Murta

The numerical renormalization group (NRG) is tailored to describe interacting impurity models in equilibrium, but faces limitations for steady-state nonequilibrium, arising, e.g., due to an applied bias voltage. We show that these…

Strongly Correlated Electrons · Physics 2019-01-04 Frauke Schwarz , Ireneusz Weymann , Jan von Delft , Andreas Weichselbaum

We demonstrate a tunable Kondo effect realized in small quantum dots. We can switch our dot from a Kondo impurity to a non-Kondo system as the number of electrons on the dot is changed from odd to even. We show that the Kondo temperature…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Sara M. Cronenwett , Tjerk H. Oosterkamp , Leo P. Kouwenhoven

The density matrix renormalization group (DMRG) is a numerical method that optimizes a variational state expressed by a tensor product. We show that the ground state is not fully optimized as far as we use the standard finite system…

Statistical Mechanics · Physics 2010-05-20 H. Takasaki , T. Hikihara , T. Nishino

Obtaining accurate representations of the eigenstates of an array of coupled superconducting qubits is a crucial step in the design of circuit quantum electrodynamics (QED)-based quantum processors. However, exact diagonalization of the…

We use the functional renormalization group (FRG) to derive analytical expressions for thermodynamic observables (density, pressure, entropy, and compressibility) as well as for single-particle properties (wavefunction renormalization and…

Quantum Gases · Physics 2017-01-19 Jan Krieg , Dominik Strassel , Simon Streib , Sebastian Eggert , Peter Kopietz

Motivated by recent experiments, in which the Kondo effect has been observed for the first time in a double quantum-dot structure, we study electron transport through a system consisting of two ultrasmall, capacitively-coupled dots with…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Teemu Pohjola , Herbert Schoeller , Gerd Schön

Quantum impurity models provide a central framework for correlated electron physics, with quantum dots enabling controlled experimental realizations. While their weak-coupling behavior is well understood through mappings to Kondo…

Mesoscale and Nanoscale Physics · Physics 2026-02-16 Nicolas Paris , Nicolas Dupuis , Christophe Mora

To apply the scattering approach for the problem of AC transport through coherent quantum conductors, various partial density of states must be evaluated. If the global partial density of states (GPDOS) is calculated externally using the…

Condensed Matter · Physics 2007-05-23 Jian Wang , Qingrong Zheng , Hong Guo

A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…

Strongly Correlated Electrons · Physics 2009-10-31 M. A. Martin-Delgado , G. Sierra , R. M. Noack

We study the Hubbard model at half band-filling on a Bethe lattice with infinite coordination number in the paramagnetic insulating phase at zero temperature. We use the dynamical mean-field theory (DMFT) mapping to a single-impurity…

Strongly Correlated Electrons · Physics 2009-11-10 Satoshi Nishimoto , Florian Gebhard , Eric Jeckelmann

We use the non-equilibrium Green's function formalism along with a self-consistent Hartree-Fock approximation to numerically study the effects of a single impurity and interactions between the electrons (with and without spin) on the…

Strongly Correlated Electrons · Physics 2009-11-11 Amit Agarwal , Diptiman Sen

We calculate the magnetic-field and temperature dependence of all quantum corrections to the ensemble-averaged conductance of a network of quantum dots. We consider the limit that the dimensionless conductance of the network is large, so…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Joern N. Kupferschmidt , Piet W. Brouwer

The functional-renormalization-group aided density-functional theory (FRG-DFT) is applied to the two-dimensional homogeneous electron gas (2DHEG). The correlation energy of the 2DHEG is derived as a function of the Wigner-Seitz radius $…

Strongly Correlated Electrons · Physics 2019-03-13 Takeru Yokota , Tomoya Naito