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• W806303652 abstract "Real-space Time-domain Approach to Time Dependent Current Density Functional Theory Daniel Spencer Jensen Department of Physics and Astronomy Master of Science A real-space time-domain calculation of the frequency-dependent dielectric constant of nonmetallic crystals is outlined and the integrals required for this calculation are computed. The outline is based on time dependent current density functional theory and is partially implemented in the ab initio density functional theory fireball program. The addition of a vector potential to the Hamiltonian of the system is discussed as well as the need to include the current density in addition to the particle density. The derivation of gradient integrals within a localized atomic-like orbital basis is presented for use in constructing the current density. Due to the generality of the derivation we also give the derivation of the kinetic energy, dipole, and overlap interactions." @default.
• W806303652 created "2016-06-24" @default.
• W806303652 creator A5001181703 @default.
• W806303652 date "2010-01-01" @default.
• W806303652 modified "2023-09-26" @default.
• W806303652 title "Real-Space Approach to Time Dependent Current Density Functional Theory" @default.
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• W806303652 hasPublicationYear "2010" @default.
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