Sternheimer equation - TDDFT.org

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Sternheimer equation - TDDFT.org

Sternheimer equation - TDDFT.org

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Acknowledgments<br />

Steven Louie, Angel Rubio, Xavier Andrade, Guoping<br />

Zhang, Manish Jain, Feliciano Giustino, Jeff Neaton

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The second-order <strong>Sternheimer</strong> <strong>equation</strong>

Acknowledgments Steven Louie, Angel Rubio, Xavier Andrade, Guoping Zhang, Manish Jain, Feliciano Giustino, Jeff Neaton

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 and 16: Perturbations in Sternheimer equati
Page 17 and 18: Si k.p perturbation
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: Performance on non-Hermitian system