Sternheimer equation - TDDFT.org
Sternheimer equation - TDDFT.org Sternheimer equation - TDDFT.org
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09.11.2014
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Polarization of a periodic system Linear response can get derivatives but not the polarization itself. Berry phase with “strings” of k-points: Single-point Berry phase (from just the Γ point) Yaschenko, Fu, Resca, and Resta, PRB 58, 1222 (1998)
Si k.p perturbation
- Page 1 and 2: Non-linear optics, k·p perturbatio
- Page 3 and 4: Quantized picture of non-linear opt
- Page 5 and 6: Question: How does the liquid envir
- Page 7 and 8: Solution measurements of hyperpolar
- Page 9 and 10: 1. Effect of electronic confinement
- Page 11 and 12: Finite differences Apply static fie
- Page 13 and 14: Sternheimer equation: projectors an
- Page 15: Perturbations in Sternheimer equati
- Page 19 and 20: Vibrational / rotational contributi
- Page 21 and 22: Example: H 2 O molecule O -0.47 0.0
- Page 23 and 24: Linear solvers All have failure con
- Page 25 and 26: Performance on non-Hermitian system
- Page 27: Acknowledgments Steven Louie, Angel
Si k.p perturbation
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