تقرير
Exchange-correlation energy from Green's functions
العنوان: | Exchange-correlation energy from Green's functions |
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المؤلفون: | Crisostomo, Steven, Gross, E. K. U., Burke, Kieron |
سنة النشر: | 2024 |
المجموعة: | Physics (Other) Quantum Physics |
مصطلحات موضوعية: | Physics - Chemical Physics, Quantum Physics |
الوصف: | DFT calculations yield useful ground-state energies and densities, while Green's function techniques (such as $GW$) are mostly used to produce spectral functions. From the Galitskii-Migdal formula, we extract the exchange-correlation of DFT directly from a Green's function. This spectral representation provides an alternative to the fluctuation-dissipation theorem of DFT, identifying distinct single-particle and many-particle contributions. Results are illustrated on the uniform electron gas and the two-site Hubbard model. |
نوع الوثيقة: | Working Paper |
URL الوصول: | http://arxiv.org/abs/2403.03364 |
رقم الأكسشن: | edsarx.2403.03364 |
قاعدة البيانات: | arXiv |
الوصف غير متاح. |