Two-particle picture and electronic structure calculations

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We derive exact formal expressions for the self-energy, (capital Sigma <sup>(<i>n</i>)</sup>, describing the in- teraction of <i>n</i> particles with one another and with the rest of the particles in an interacting quantum N-particle system In contrast to traditional treatments, in which the single-particle self-energy is built out of interactions of a particle with the rest of the system, here a general n-particle quantity, (capital sigma)<sup>(<i>n</i>)</sup>, is obtained in a straight- forward fashion by integrating the exact <i>N</i>-particle Green function, <i>G</i><sup>(N)</sup>, over the coordinates of N <sup>_</sup> <i>n</i> particles and inverting An alternative expression, based on the canonical many-body equation of ... continued below

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Gonis, A; Schulthess, T C & Turchi, P E A June 24, 1998.

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We derive exact formal expressions for the self-energy, (capital Sigma <sup>(<i>n</i>)</sup>, describing the in- teraction of <i>n</i> particles with one another and with the rest of the particles in an interacting quantum N-particle system In contrast to traditional treatments, in which the single-particle self-energy is built out of interactions of a particle with the rest of the system, here a general n-particle quantity, (capital sigma)<sup>(<i>n</i>)</sup>, is obtained in a straight- forward fashion by integrating the exact <i>N</i>-particle Green function, <i>G</i><sup>(N)</sup>, over the coordinates of N <sup>_</sup> <i>n</i> particles and inverting An alternative expression, based on the canonical many-body equation of motion for the Green function is also discussed and compared with that derived through the integration process. The methodology is developed with respect to two-particle states, with the two-particle Green function being the central quantity from which the single-particle self-energy and Green function are derived It is suggested that the two-particle Green function be calculated directly in six-dimensional space in a two-particle generalization of density functional theory and the corresponding local density approximation. Methods for the calculation of the single-particle, <i>n</i> = 1, self-energy and effective single-particle t-matrix are discussed, and the methodology is illustrated by means of calculations on a model system.

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  • International Workshop on Electron Correlations and Materials Properties, Crete, Greece, June 29-July 3, 1998

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  • Other: DE00002494
  • Report No.: UCRL-JC-131273
  • Grant Number: W-7405-Eng-48
  • Office of Scientific & Technical Information Report Number: 2494
  • Archival Resource Key: ark:/67531/metadc671398

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  • June 24, 1998

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  • June 29, 2015, 9:42 p.m.

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  • May 6, 2016, 11:09 p.m.

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Gonis, A; Schulthess, T C & Turchi, P E A. Two-particle picture and electronic structure calculations, article, June 24, 1998; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc671398/: accessed August 16, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.