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We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out…

Strongly Correlated Electrons · Physics 2016-02-02 Sandro Sorella , Nicolas Devaux , Mario Dagrada , Guglielmo Mazzola , Michele Casula

Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW^0-method for the dynamical self-energy is…

Plasma Physics · Physics 2009-11-13 Carsten Fortmann

We develop a systematic method of the perturbative expansion around the Gaussian effective action based on the background field method. We show, by applying the method to the quantum mechanical anharmonic oscillator problem, that even the…

High Energy Physics - Theory · Physics 2016-08-25 Geon Hyoung Lee , Jae Hyung Yee

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Erik Nielsen , Rajib Rahman , Richard P. Muller

We investigate the Dirac time-dependent variational method using a Gaussian trial functional for an infinite one dimensional system of Bosons interacting through a repulsive contact interaction. The method produces a set of non-linear time…

Condensed Matter · Physics 2009-10-30 Arthur K. Kerman , Paolo Tommasini

A numerically implementable Multi-scale Many-Body approach to strongly correlated electron systems is introduced. An extension to quantum cluster methods, it approximates correlations on any given length-scale commensurate with the strength…

Strongly Correlated Electrons · Physics 2012-01-04 C. Slezak , M. Jarrell , Th. Maier , J. Deisz

A generalized version of the rotating-wave approximation for the single-mode spin-boson Hamiltonian is presented. It is shown that performing a simple change of basis prior to eliminating the off-resonant terms results in a significantly…

Quantum Physics · Physics 2009-11-13 E. K. Irish

We present the version 2.0 of the program package GoSam for the automated calculation of one-loop amplitudes. GoSam is devised to compute one-loop QCD and/or electroweak corrections to multi-particle processes within and beyond the Standard…

We investigate the accuracy and efficiency of the semiclassical Frozen Gaussian method in describing electron dynamics in real time. Model systems of two soft-Coulomb-interacting electrons are used to study correlated dynamics under…

Chemical Physics · Physics 2015-05-30 Peter Elliott , Neepa T. Maitra

Two-loop QED corrections with closed fermion loops are calculated for the 1s bound-electron g factor. Calculations are performed to all orders in the nuclear binding strength parameter Z\alpha (where Z is the nuclear charge and \alpha is…

Atomic Physics · Physics 2015-06-16 V. A. Yerokhin , Z. Harman

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…

Other Condensed Matter · Physics 2007-05-23 Thomas M. Henderson , Giorgos Fagas , Eoin Hyde , James C. Greer

Our previously-developed calculational method (the partial wave cutoff method) is employed to evaluate explicitly scalar one-loop effective actions in a class of radially symmetric background gauge fields. Our method proves to be…

High Energy Physics - Theory · Physics 2008-11-26 Gerald V. Dunne , Jin Hur , Choonkyu Lee , Hyunsoo Min

The calculation of minimum energy paths for transitions such as atomic and/or spin re-arrangements is an important task in many contexts and can often be used to determine the mechanism and rate of transitions. An important challenge is to…

Chemical Physics · Physics 2017-03-31 Olli-Pekka Koistinen , Emile Maras , Aki Vehtari , Hannes Jónsson

We introduce an alternative route to quasiparticle self-consistent $GW$ calculations ($\mathrm{qs}GW$) on the basis of a Joint Approximate Diagonalization of the one-body $GW$ Green's functions $G(\varepsilon_n^{QP})$ taken at the input…

Materials Science · Physics 2024-12-05 Ivan Duchemin , Xavier Blase

Complex Gaussian basis sets are optimized to accurately represent continuum radial wavefunctions over the whole space. First, attention is put on the technical ability of the optimization method to get more flexible series of Gaussian…

Chemical Physics · Physics 2025-11-04 Stéphanie Laure Egome Nana , Arnaud Leclerc , Lorenzo Ugo Ancarani

Common G$_0$W$_0$ implementations rely on numerical or analytical frequency integration to determine the G$_0$W$_0$ self-energy, which results in a variety of practical complications. Recently, we demonstrated an exact connection between…

Chemical Physics · Physics 2023-12-01 Johannes Tölle , Garnet Kin-Lic Chan

I give a basic introduction to precision electroweak analysis, beginning with calculation at tree-level which most simply illustrates the procedure. I then work out the formalism for one-loop corrections to the vector boson self energies…

High Energy Physics - Phenomenology · Physics 2007-05-23 James D. Wells

We develop an algorithm of polynomial complexity for evaluating one-loop amplitudes with an arbitrary number of external particles. The algorithm is implemented in the Rocket program. Starting from particle vertices given by Feynman rules,…

High Energy Physics - Phenomenology · Physics 2009-05-05 W. T. Giele , G. Zanderighi

We investigate two-loop higher-order binding corrections to the fine structure, which contribute to the spin-dependent part of the Lamb shift. Our calculation focuses on the so-called ``two-loop self-energy'' involving two virtual closed…

High Energy Physics - Phenomenology · Physics 2008-11-26 Ulrich D. Jentschura , Krzysztof Pachucki

The Gel'fand-Yaglom theorem has been used to calculate the one-loop effective action in quantum field theory by means of the "partial-wave-cutoff method". This method works well for a wide class of background fields and is essentially…

High Energy Physics - Theory · Physics 2022-06-29 Adolfo Huet , Idrish Huet , Octavio Cornejo
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