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• W2000351097 abstract "We extend the periodic von Neumann basis to non-Cartesian coordinates. The bound states of two isomerizing triatomic molecules, LiCN/LiNC and HCN/HNC, are calculated using the vibrational Hamiltonian in Jacobi coordinates. The phase space localization of the basis functions leads to a flexible and accurate representation of the Hamiltonian. This results in significant savings compared to a basis localized just in coordinate space. The favorable scaling of the method with dimensionality makes it promising for applications to larger systems." @default.
• W2000351097 created "2016-06-24" @default.
• W2000351097 creator A5005564351 @default.
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• W2000351097 date "2014-12-16" @default.
• W2000351097 modified "2023-10-18" @default.
• W2000351097 title "The von Neumann basis in non-Cartesian coordinates: Application to floppy triatomic molecules" @default.
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• W2000351097 doi "https://doi.org/10.1063/1.4902553" @default.
• W2000351097 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25527918" @default.
• W2000351097 hasPublicationYear "2014" @default.
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