Geometric Derivation of the Stress Tensor of the Homogeneous Electron Gas
AbstractThe foundation of many approximations in time-dependent density functional theory (TDDFT) lies in the theory of the homogeneous electron gas. However, unlike the ground-state DFT, in which the exchange-correlation potential of the homogeneous electron gas is known exactly via the quantum Monte Carlo calculation, the time-dependent or frequency-dependent dynamical potential of the homogeneous electron gas has not been known exactly, due to the absence of a similar variational principle for excited states. In this work, we present a simple geometric derivation of the time-dependent dynamical exchange-correlation potential for the homogeneous system. With this derivation, the dynamical potential can be expressed in terms of the stress tensor, offering an alternative to calculate the bulk and shear moduli, two key input quantities in TDDFT. View Full-Text
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Tao, J.; Vignale, G.; Zhu, J.-X. Geometric Derivation of the Stress Tensor of the Homogeneous Electron Gas. Computation 2017, 5, 28.
Tao J, Vignale G, Zhu J-X. Geometric Derivation of the Stress Tensor of the Homogeneous Electron Gas. Computation. 2017; 5(2):28.Chicago/Turabian Style
Tao, Jianmin; Vignale, Giovanni; Zhu, Jian-Xin. 2017. "Geometric Derivation of the Stress Tensor of the Homogeneous Electron Gas." Computation 5, no. 2: 28.
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