All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT
Within density-functional theory, perturbation theory (PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities, dielectric constants, and Raman intensities. Here, we derive a real-space formulation...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2018-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/aace6d |