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Exchange kernel $f^h_x(q,\omega)$ of electron liquid from the variational principle of McLachlan
| العنوان: | Exchange kernel $f^h_x(q,\omega)$ of electron liquid from the variational principle of McLachlan |
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| المؤلفون: | Nazarov, Vladimir U., Silkin, Vyacheslav M. |
| المصدر: | Physical Review B 110, 104310 (2024) |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Strongly Correlated Electrons, Physics - Chemical Physics |
| الوصف: | By minimizing, in the $L_2$ norm, the difference between the left- and the right-hand sides of the time-dependent Schr\"{o}dinger equation, the variational principle of McLachlan (McLVP) [A. McLachlan, Molecular Physics {\bf 8}, 39 (1964)] provides a powerful tool for the generation of equations of motion. If the trial wave function is the Slater determinant, McLVP produces a temporally and spatially nonlocal exchange potential [V. U. Nazarov, Phys. Rev. B {\bf 87}, 165125 (2013)]. We study the performance of the corresponding wave-vector and frequency-dependent exchange kernel $f^h_x(q,\omega)$ of the homogeneous electron liquid. While the McLVP-based $f^h_x(q,\omega)$ lacks correlations by construction, we find that it accurately accounts for exchange, reproducing features in the quantum Monte Carlo data, which the known constraint-based kernels miss. We argue that the complementary use of the McLVP- and the constraint-based exchange-correlation kernels will enhance the performance of the linear response time-dependent density functional theory of the electron liquid. Comment: 8 pages, 8 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevB.110.104310 |
| URL الوصول: | http://arxiv.org/abs/2408.16294 |
| رقم الانضمام: | edsarx.2408.16294 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevB.110.104310 |
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