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Showing 1 to 2 of 2 for “"Exchange-correlation kernel"”.
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Exchange-Correlation Kernels Within Time-Dependent Density Functional Theory For Ground-State and Excited-State Properties
The exact exchange-correlation kernel is a functional derivative of the exact time-dependent exchange-correlation (XC) potential with respect to the time-dependent density, evaluated at the ground-state density. As the XC potential is not known, the exact kernel is also unavailable. Therefore, it …
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Construction of first-principles density functional approximations and their applications to materials
… of one term in its total energy expression: the exchange-correlation energy. This work elucidates systematic methods for constructing approximations to the exchange-correlation energy solely from first-principles physics. We review the constraints that can be built into approximate density …