“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface
Abstract
:1. Introduction
2. Results
2.1. Anisotropic Wannier Polarizability Method
2.2. Application to the Air–Water Interface
3. Computational Methods
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Ojha, D.; Kühne, T.D. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules 2020, 25, 3939. https://doi.org/10.3390/molecules25173939
Ojha D, Kühne TD. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules. 2020; 25(17):3939. https://doi.org/10.3390/molecules25173939
Chicago/Turabian StyleOjha, Deepak, and Thomas D. Kühne. 2020. "“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface" Molecules 25, no. 17: 3939. https://doi.org/10.3390/molecules25173939