Potential energy surfaces from many-body functionals: Analytical benchmarks and conserving many-body approximations

We investigate analytically the performance of many-body energy functionals, derived by Klein, Luttinger, and Ward, at different levels of diagrammatic approximations, ranging from second Born, to GW, to the so-called T matrix, for the calculation of total energies and potential energy surfaces. We...

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Bibliographic Details
Main Authors: Giovanna Lani, Nicola Marzari
Format: Article
Language:English
Published: American Physical Society 2024-12-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.6.043304
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