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A parallel algorithm for the implementation of the recursive Green's function technique, which is extensively applied in the coherent scattering formalism, is developed. The algorithm performs a domain decomposition of the scattering region…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 P. S. Drouvelis , P. Schmelcher , P. Bastian

We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature…

Strongly Correlated Electrons · Physics 2014-09-02 Alexander C. Tiegel , Salvatore R. Manmana , Thomas Pruschke , Andreas Honecker

A revised iterative method based on Green function defined by quadratures along a single trajectory is proposed to solve the low-lying quantum wave function for Schroedinger equation. Specially a new expression of the perturbed energy is…

Quantum Physics · Physics 2007-05-23 Zhao Wei-Qin

We evaluate the performances of ab initio GW calculations for the ionization energies and HOMO-LUMO gaps of thirteen gas phase molecules of interest for organic electronic and photovoltaic applications, including the C60 fullerene,…

Materials Science · Physics 2011-04-01 Xavier Blase , Claudio Attaccalite , Valerio Olevano

We review recent developments in the use of renormalization group (RG) methods in low-energy nuclear physics. These advances include enhanced RG technology, particularly for three-nucleon forces, which greatly extends the reach and accuracy…

Nuclear Theory · Physics 2013-11-14 R. J. Furnstahl , K. Hebeler

We present a new, simple renormalization group method of investigating groundstate properties of interacting bosonic systems. Our method reduces the number of particles in a system, which makes numerical calculations possible for large…

Statistical Mechanics · Physics 2013-05-29 Roman Werpachowski , Jerzy Kijowski

We calculate the equation of state of pure neutron matter, comparing the G-matrix calculation with the in-medium T-matrix result. At low densities, we obtain similar energies per nucleon, however some differences appear at higher densities.…

Nuclear Theory · Physics 2009-11-07 P. Bozek , P. Czerski

Models developed for the exclusive and inclusive quasielastic (QE) electron-nucleus scattering have been extended to QE neutrino-nucleus scattering. Different descriptions of final-state interactions (FSI) are compared. For the inclusive…

Nuclear Theory · Physics 2015-05-28 Carlotta Giusti , Andrea Meucci

Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's function methods capable of quantitatively describing weak and…

Chemical Physics · Physics 2016-11-15 Alexander A. Rusakov , Dominika Zgid

We introduce a method that allows for the calculation of quasi-particle spectra in the GW approximation, yet avoiding any explicit reference to empty one-electron states. This is achieved by expressing the irreducible polarizability…

Materials Science · Physics 2015-05-14 P. Umari , G. Stenuit , S. Baroni

Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly…

Nuclear Theory · Physics 2014-12-09 Wojciech Satula , Jacek Dobaczewski

A fully self-consistent renormalized random-phase approximation is constructed based on the self-consistent Hartree-Fock mean field plus exact pairing solutions (EP). This approach exactly conserves the particle number and restores the…

Nuclear Theory · Physics 2019-06-06 L. Tan Phuc , N. Quang Hung , N. Dinh Dang

To alleviate the computational cost associated with on-the-fly ab initio semiclassical calculations of molecular spectra, we propose the single-Hessian thawed Gaussian approximation, in which the Hessian of the potential energy at all…

Chemical Physics · Physics 2024-09-26 Tomislav Begušić , Manuel Cordova , Jiří Vaníček

We find the emergence of strong correlations and universality on the approach to the quantum critical points of a two impurity Anderson model. The two impurities are coupled by an inter-impurity exchange interaction $J$ and direct…

Strongly Correlated Electrons · Physics 2015-06-03 Y. Nishikawa , D. J. G. Crow , A. C. Hewson

The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…

Materials Science · Physics 2025-08-26 Thomas Pitts , Damian Contant , Maria Hellgren

A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…

Materials Science · Physics 2007-05-23 R. Takayama , T. Hoshi , T. Sogabe , S. -L. Zhang , T. Fujiwara

On the basis of first-principles GW calculations, we study the quasiparticle properties of the guanine, adenine, cytosine, thymine, and uracil DNA and RNA nucleobases. Beyond standard G0W0 calculations, starting from Kohn-Sham eigenstates…

Chemical Physics · Physics 2015-05-27 Carina Faber , Claudio Attaccalite , Valerio Olevano , Erich Runge , Xavier Blase

A new approach to generalised Casimir type of problems is derived within the context of renormalisable quantum field theory (QFT). We study the simplest case of a massive fluctuating boson field coupled to a time-independent background…

High Energy Physics - Theory · Physics 2007-05-23 Markus Quandt

We extend the exact multilocal renormalization group (RG) method to study the flow of the effective action functional. This important physical quantity satisfies an exact RG equation which is then expanded in multilocal components.…

Condensed Matter · Physics 2009-11-10 Gregory Schehr , Pierre Le Doussal

The two-time Green function method in quantum electrodynamics of high-Z few-electron atoms is described in detail. This method provides a simple procedure for deriving formulas for the energy shift of a single level and for the energies and…

Atomic Physics · Physics 2009-11-06 V. M. Shabaev