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The recent quantum information boom has effected a resurgence of interest in unitary coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary ans\"atze prompted us to investigate the classical approach of…

Chemical Physics · Physics 2022-11-01 Harper R. Grimsley , Nicholas J. Mayhall

This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…

Chemical Physics · Physics 2024-09-04 James C. Ellenbogen

An accurate treatment of Coulomb breakup reactions is presented by using both the Gaussian expansion method and the method of continuum discretized coupled channels. As $L^2$-type basis functions for describing bound- and continuum-states…

Nuclear Theory · Physics 2009-11-10 T. Egami , K. Ogata , T. Matsumoto , Y. Iseri , M. Kamimura , M. Yahiro

Worldline approaches, when available, often simplify and make more efficient the calculation of various observables in quantum field theories. In this contribution we first review the calculation of the graviton self-energy due to a loop of…

High Energy Physics - Theory · Physics 2015-04-10 Fiorenzo Bastianelli , Roberto Bonezzi

We employ notions familiar from supersymmetry for constructing the one-loop functional of general quantum field theories with bosons and fermions (spin < 1). To demonstrate the advantages of such an approach for calculating one-loop…

High Energy Physics - Phenomenology · Physics 2009-10-31 H. Neufeld , J. Gasser , G. Ecker

Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, certain numerical approximations and simplifications are still…

We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…

Computational Physics · Physics 2015-05-14 Albert P. Bartók , Mike C. Payne , Risi Kondor , Gábor Csányi

We discuss the equivalence of the standard covariant expressions and light-front expressions of the three fundamental one loop Feynman diagrams of Quantum Electrodynamics viz. vertex correction, fermion self-energy and vacuum polarization…

High Energy Physics - Theory · Physics 2020-04-01 Deepesh Bhamre , Anuradha Misra , Vivek Kumar Singh

We use the pinch technique formalism to construct the gauge-independent off-shell two-loop fermion self-energy, both for Abelian (QED) and non-Abelian (QCD) gauge theories. The new key observation is that all contributions originating from…

High Energy Physics - Phenomenology · Physics 2009-11-07 Daniele Binosi , Joannis Papavassiliou

Gluonic contributions to the self-energy of a nucleon have been investigated in an effective theory. The couplings of the topological charge density to nucleons give rise to OZI violating nucleon interactions. The one-loop self-energy of a…

High Energy Physics - Phenomenology · Physics 2014-07-15 Alka Upadhyay , J. P. Singh

We analyze a data set comprising 370 GW band structures composed of 61716 quasiparticle (QP) energies of two-dimensional (2D) materials spanning 14 crystal structures and 52 elements. The data results from PAW plane wave based one-shot…

Materials Science · Physics 2021-01-05 Asbjørn Rasmussen , Thorsten Deilmann , Kristian S. Thygesen

While the periodic equation-of-motion coupled-cluster (EOM-CC) method promises systematic improvement of electronic band gap calculations in solids, its practical application at the singles and doubles level (EOM-CCSD) is hindered by severe…

We suggest a new approach for the automatic and fully numerical evaluation of one-loop scattering amplitudes in perturbative quantum field theory. We use suitably formulated dispersion relations to perform the calculation as a convolution…

High Energy Physics - Phenomenology · Physics 2008-09-29 M. Moretti , F. Piccinini , A. D. Polosa

In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic ($B$ field)…

Computational Physics · Physics 2018-01-17 Wuming Zhu , S. B. Trickey

We rewrite the Bagger-Lambert action for any Lie 3-algebra as a standard Chern- Simons action coupled to matter. We use this action to compute self-energies and vertex corrections at one-loop order. Non-renormalization of the coupling…

High Energy Physics - Theory · Physics 2008-11-26 Andreas Gustavsson

A Gaussian elimination form of inverse iteration within the complex coordinate approach is shown to produce a simple uniform method of finding both real bound state energies and complex resonant state energies for several problems which…

Quantum Physics · Physics 2009-06-25 John P. Killingbeck , Alain Grosjean

The methodology based on the association of the Variational Method with Supersymmetric Quantum Mechanics is used to evaluate the energy states of the confined hydrogen atom.

High Energy Physics - Theory · Physics 2015-06-26 Elso Drigo Filho , Regina Maria Ricotta

We show that the one-loop self-energy at finite temperature has a unique limit as the external momentum $p_\mu\rightarrow 0$ {\it if} the loop involves propagators with distinct masses. This naturally arises in theories involving particles…

High Energy Physics - Phenomenology · Physics 2010-02-16 P. Arnold , P. Bedaque , A. Das , S. Vokos

We compute the two-loop fermion self-energy in massless reduced quantum electrodynamics for an arbitrary gauge using the method of integration by parts. Focusing on the limit where the photon field is four-dimensional, our formula involves…

High Energy Physics - Phenomenology · Physics 2014-03-31 A. V. Kotikov , S. Teber

We present a tight-binding based GW approach for the calculation of quasiparticle energy levels in confined systems such as molecules. Key quantities in the GW formalism like the microscopic dielectric function or the screened Coulomb…

Materials Science · Physics 2009-11-10 T. A. Niehaus , M. Rohlfing , F. Della Sala , A. Di Carlo , Th. Frauenheim
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