Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory
Author:
Funder
National Key Research and Development Program of China
CARCH4205
Chinese Academy of Sciences
Publisher
Elsevier BV
Subject
General Physics and Astronomy,Hardware and Architecture
Reference55 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm
4. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
5. Phonons and related crystal properties from density-functional perturbation theory
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