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9. Morita A, Kato S (2002) The charge response kernel with modified electrostatic potential
charge model. J Phys Chem A 106:3909–3916
10. Pulay P (1987) Analytical derivative methods in quantum chemistry. Adv Chem Phys 69:241–
286
11. Rick SW, Stuart SJ, Berne BJ (1994) Dynamical fluctuating charge force fields: application to
liquid water. J Chem Phys 101:6141–6156
12. Sulpizi M, Salanne M, Sprik M, Gaigeot M (2013) Vibrational sum frequency generation
spectroscopy of the water liquid. Vapor interface from density functional theory-based
molecular dynamics simulations. J Phys Chem Lett 4:83–87
13. Szabo A, Ostlund NS (1996) Modern quantum chemistry: introduction to advanced electronic
structure theory. Dover, New York
14. Wan Q, Galli G (2015) First-principles framework to compute sum-frequency generation
vibrational spectra of semiconductors and insulators. Phys Rev Lett 115:246404
6 Charge Response Kernel for Electronic Polarization
9. Morita A, Kato S (2002) The charge response kernel with modified electrostatic potential
charge model. J Phys Chem A 106:3909–3916
10. Pulay P (1987) Analytical derivative methods in quantum chemistry. Adv Chem Phys 69:241–
286
11. Rick SW, Stuart SJ, Berne BJ (1994) Dynamical fluctuating charge force fields: application to
liquid water. J Chem Phys 101:6141–6156
12. Sulpizi M, Salanne M, Sprik M, Gaigeot M (2013) Vibrational sum frequency generation
spectroscopy of the water liquid. Vapor interface from density functional theory-based
molecular dynamics simulations. J Phys Chem Lett 4:83–87
13. Szabo A, Ostlund NS (1996) Modern quantum chemistry: introduction to advanced electronic
structure theory. Dover, New York
14. Wan Q, Galli G (2015) First-principles framework to compute sum-frequency generation
vibrational spectra of semiconductors and insulators. Phys Rev Lett 115:246404