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Embedded Many-Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems

By Gianluca Tirimbò and others at
LogoEindhoven University of Technology
Many-body Green's function theory in the GW approximation with the Bethe--Salpeter equation (BSE) provides a powerful framework for the first-principles calculations of single-particle and electron-hole excitations in perfect crystals and molecules alike. Application to complex molecular systems, e.g., solvated dyes, molecular aggregates, thin films, interfaces, or macromolecules, is particularly challenging... Show more
June 11, 2024
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Embedded Many-Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems
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