Interacting electrons and bosons in the doubly screened <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mover accent="true"><mml:mi>W</mml:mi><mml:mo>̃</mml:mo></mml:mover></mml:mrow></mml:math> approximation: A time-linear scaling method for first-principles simulations
نویسندگان
چکیده
We augment the time-linear formulation of Kadanoff-Baym equations for systems interacting electrons and quantized phonons or photons with $G\widetilde{W}$ approximation, Coulomb interaction $\widetilde{W}$ being dynamically screened by both electron-hole pairs {\em and} bosonic particles. also show how to combine different approximations include simultaneously multiple correlation effects in dynamics. The final outcome is a versatile framework comprising $2^{12}$ distinct diagrammatic methods, each scaling linearly time preserving all fundamental conservation laws. dramatic improvement over current state-of-the-art brought about demonstrated study correlation-induced charge migration glycine molecule an optical cavity.
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ژورنال
عنوان ژورنال: Physical review
سال: 2022
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.106.l201408