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arXiv 1301.4645quant-ph
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含时定域Hartree-Fock势

Time-dependent localized Hartree-Fock potential

V. U. Nazarov

摘要:

通过最小化多体含时薛定谔方程的左右两边之差和Slater行列式波函数,我们得到了一个非绝热、无自相互作用的含时单粒子有效势,它是定域Hartree-Fock势含时情形的推广.新的潜力可以有效地使用内的含时密度泛函理论的框架内,我们证明了由波矢和频率相关的交换内核$f_x(q,ω)$和交换剪切模量$μ_x$的均匀电子气的评价。

英文摘要:

By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schrödinger equation with the Slater-determinant wave-function, we derive a non-adiabatic and self-interaction free time-dependent single-particle effective potential which is the generalization to the time-dependent case of the localized Hartree-Fock potential. The new potential can be efficiently used within the framework of the time-dependent density-functional theory as we demonstrate by the evaluation of the wave-vector and frequency dependent exchange kernel $f_x(q,ω)$ and the exchange shear modulus $μ_x$ of the homogeneous electron gas.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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