Toward ab initio molecular dynamics modeling for sum-frequency generation 
spectra; an efficient algorithm based on surface-specific velocity-velocity 
correlation function

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, T.; Bonn, Mischa; Nagata, Yuki

doi:10.1063/1.4931106

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Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function

Ohto, T., Usui, K., Hasegawa, T., Bonn, M., & Nagata, Y. (2015). Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function. The Journal of Chemical Physics, 143(12): 124702. doi:10.1063/1.4931106.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-F1C5-5 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-F1C6-3

Genre: Journal Article

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Creators:
Ohto, Tatsuhiko¹, Author
Usui, Kota², Author
Hasegawa, T., Author
Bonn, Mischa², Author
Nagata, Yuki², Author

Affiliations:
1Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan, ou_persistent22
2Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285

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Language(s): eng - English

Dates: Date issued: 2015

Publication Status: Issued

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Identifiers: DOI: 10.1063/1.4931106

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Title: The Journal of Chemical Physics

Other : J. Chem. Phys.

Source Genre: Journal

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Publ. Info: Woodbury, N.Y. : American Institute of Physics

Pages: - Volume / Issue: 143 (12) Sequence Number: 124702 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226