English
Related papers

Related papers: $GW$ vertex corrected calculations for molecular s…

200 papers

The $GW$-Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molecules, and in the commonly implemented diagonal…

Chemical Physics · Physics 2022-08-10 Arno Förster , Lucas Visscher

This paper presents a hybridized formulation for the weak Galerkin mixed finite element method (WG-MFEM) which was introduced and analyzed for second order elliptic equations. The WG-MFEM method was designed by using discontinuous piecewise…

Numerical Analysis · Mathematics 2015-08-25 Lin Mu , Junping Wang , Xiu Ye

The quantum hadrodynamics are studied by using non-perturbative renormalization group equations. Approximate discrete gamma_5-symmetry is studied. It is shown that the contributions of one-loop diagrams are important for effective…

Nuclear Theory · Physics 2007-05-23 Hiroaki Kouno , Manabu Nakai , Akira Hasegawa , Masahiro Nakano

The thermodynamic entropy of coarse-grained (CG) models stands as one of the most important properties for quantifying the missing information during the CG process and for establishing transferable (or extendible) CG interactions. However,…

Chemical Physics · Physics 2024-04-10 Jaehyeok Jin , David R. Reichman

Ward-Green-Takahashi (WGT) identities play a crucial role in hadron physics, e.g. imposing stringent relationships between the kernels of the one- and two-body problems, which must be preserved in any veracious treatment of mesons as…

Nuclear Theory · Physics 2016-06-01 Daniele Binosi , Lei Chang , Joannis Papavassiliou , Si-Xue Qin , Craig D. Roberts

The predictions of the geometric collective model (GCM) for different sets of Hamiltonian parameter values are related by analytic scaling relations. For the quartic truncated form of the GCM -- which describes harmonic oscillator, rotor,…

Nuclear Theory · Physics 2007-05-23 M. A. Caprio

We present a detailed discussion of self-energy embedding theory (SEET) which is a quantum embedding scheme allowing us to describe a chosen subsystem very accurately while keeping the description of the environment at a lower cost. We…

Chemical Physics · Physics 2016-11-15 Tran Nguyen Lan , Alexei A. Kananenka , Dominika Zgid

In this paper, we present and analyze a weak Galerkin finite element (WG) method for solving the symmetric hyperbolic systems. This method is highly flexible by allowing the use of discontinuous finite elements on element and its boundary…

Numerical Analysis · Mathematics 2020-11-24 Tie Zhang , Shangyou Zhang

In recent years, Green's function methods have garnered considerable interest due to their ability to target both charged and neutral excitations. Among them, the well-established $GW$ approximation provides accurate ionization potentials…

Chemical Physics · Physics 2023-08-31 Enzo Monino , Pierre-François Loos

We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…

Condensed Matter · Physics 2007-05-23 J. J. Deisz , D. W. Hess , J. W. Serene

Gromov--Wasserstein (GW) distances compare graphs, shapes, and point clouds through internal distances, without requiring a common coordinate system. This invariance is powerful, but discrete GW is a nonconvex quadratic optimal transport…

Machine Learning · Computer Science 2026-05-15 Ao Xu , Tieru Wu

We check the ab initio GW approximation and Bethe-Salpeter equation (BSE) many-body methodology against the exact solution benchmark of the hydrogen molecule H$_2$ ground state and excitation spectrum, and in comparison with the…

Chemical Physics · Physics 2021-01-27 Jing Li , Valerio Olevano

GW calculations with fully self-consistent G and W -- based on the iterative solution of the Dyson equation -- provide an approach for consistently describing ground and excited states on the same quantum mechanical level. We show that for…

Materials Science · Physics 2012-09-27 Fabio Caruso , Patrick Rinke , Xinguo Ren , Matthias Scheffler , Angel Rubio

We propose an alternative formulation of Many-Body Perturbation Theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, that leads to excellent…

Other Condensed Matter · Physics 2010-07-01 Fabien Bruneval , Francesco Sottile , Valerio Olevano , Rodolfo Del Sole , Lucia Reining

Methods for calculating lower bounds to the exact energy using the variance of the upper bound energy are discussed and explored. All the matrix elements of the Hamiltonian squared are collected and considered, and those for which no known…

Quantum Physics · Physics 2021-07-09 Robbie Thomson Ireland

The novel idea of weak Galerkin (WG) finite element methods is on the use of weak functions and their weak derivatives defined as distributions. Weak functions and weak derivatives can be approximated by polynomials with various degrees.…

Numerical Analysis · Mathematics 2013-04-25 Lin Mu , Junping Wang , Xiu Ye

Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…

Discrete Mathematics · Computer Science 2022-08-29 Jakob L. Andersen , Rolf Fagerberg , Juri Kolčák , Christophe V. F. P. Laurent , Daniel Merkle , Nikolai Nøjgaard

The algorithm to calculate the generating function for the number of ``skeleton'' diagrams for the irreducible self-energy and vertex parts is derived for the problems with Gaussian random fields. We find an exact recurrence relation…

Disordered Systems and Neural Networks · Physics 2009-10-30 E. Z. Kuchinskii , M. V. Sadovskii

This work comprises a study upon the quantization and the renormalizability of the generalized electrodynamics of spinless charged particles (mesons), namely, the Generalized Scalar Electrodynamics ($GSQED_{4}$). The theory is quantized in…

High Energy Physics - Theory · Physics 2014-04-04 R. Bufalo , B. M. Pimentel

The fully self-consistent $GW$ (sc$GW$) method with the iterative solution of Dyson equation provides a consistent approach for describing the ground and excited states without any dependence on the mean-field reference. In this work, we…

Chemical Physics · Physics 2024-01-23 Vibin Abraham , Gaurav Harsha , Dominika Zgid
‹ Prev 1 8 9 10 Next ›