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• W2590654329 abstract "Numerical methods for the calculation of anharmonic vibrational states and energies for polyatomic molecules are discussed. Vibrational self-consistent field theory is in focus covering both the basics in a self-contained manner and including a description of recent developments such as inclusion of temperature and the role of coordinates. Subsequently, focus is shifted to vibrational coupled cluster (VCC) theory as a means to account for correlation, and hierarchies of VCC methods are described. The calculation of excited states and spectra through VCC response theory is outlined." @default.
• W2590654329 created "2017-03-03" @default.
• W2590654329 creator A5011917108 @default.
• W2590654329 date "2017-01-01" @default.
• W2590654329 modified "2023-09-26" @default.
• W2590654329 title "Vibrational Self-Consistent Field and Vibrational Coupled Cluster Theory" @default.
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• W2590654329 doi "https://doi.org/10.1016/b978-0-12-409547-2.11480-5" @default.
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