Theory and computational method of interfacial sum frequency generation spectrosocpy

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We have proposed the theory and computational methods of vibrational sum frequency generation spectroscopy. We further advanced the theory including quadrupole and local field effects, and applied the sophisticated theory and computation to various liquid interfaces, such as water, electrolyte aqueous solutions, and organic liquid surfaces. The detailed structure of interfaces have been revealed with the help of SFG theory and molecular dynamics simulation.