Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations
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Date
2008Type
- Journal Article
ETH Bibliography
yes
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Publication status
publishedExternal links
Journal / series
The Journal of Chemical PhysicsVolume
Pages / Article No.
Publisher
American Institute of PhysicsSubject
density functional theory; inclusions; infrared spectra; intermolecular mechanics; molecular dynamics method; organic compounds; perturbation theory; Raman spectra; variational techniquesOrganisational unit
03575 - Parrinello, Michele (ehemalig) / Parrinello, Michele (former)
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ETH Bibliography
yes
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