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- W1977023677 abstract "By considering infinitesimal rotations, the well-known G-matrix method is extended for the derivation of exact quantum-mechanical vibration–rotation Hamiltonians in arbitrary vibrational coordinates and molecule-fixed coordinate systems. All rovibrational coefficients can be calculated by dot products, with considerably less algebra than by using conventional methods. Coordinate transformations from one molecule-fixed coordinate system to another are discussed. Hamiltonians are partly derived for XH2 and XH3 (without inversion) type molecules to demonstrate the ease of this approach." @default.
- W1977023677 created "2016-06-24" @default.
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- W1977023677 date "1995-03-08" @default.
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- W1977023677 title "A simple method for the derivation of exact quantum-mechanical vibration–rotation Hamiltonians in terms of internal coordinates" @default.
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- W1977023677 doi "https://doi.org/10.1063/1.468571" @default.
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