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• W2014992185 abstract "We propose an efficient basis expansion for electron orbitals to describe real-time electron dynamics in crystalline solids. Although a conventional grid representation in the three-dimensional Cartesian coordinates works robustly, it requires a large amount of computational resources. To reduce computational costs, we consider basis expansion methods employing eigenstates of the ground state Hamiltonian with a truncation. We have found that adding occupied eigenstates of nearby $k$ points to the truncated basis functions composed of eigenstates of the original $k$ point is crucially important. We demonstrate the usefulness of the method for linear and nonlinear electron dynamics calculations in crystalline ${mathrm{SiO}}_{2}$." @default.
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• W2014992185 date "2014-06-30" @default.
• W2014992185 modified "2023-09-25" @default.
• W2014992185 title "Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids" @default.
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• W2014992185 doi "https://doi.org/10.1103/physrevb.89.224305" @default.
• W2014992185 hasPublicationYear "2014" @default.
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