Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
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- Type
- article
- Published
- 1996-10-10
- Cited by
- 5,488
- References
- 22
- OpenAlex
- https://openalex.org/W2129579634
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:45313409
Keywords
Chemistry, Scaling, Møller–Plesset perturbation theory, Ab initio, Basis set
References
- Molecular Spectra and Molecular Structure
- AB INITIO Molecular Orbital Theory
- Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules
- An evaluation of AM1 calculated vibrational frequencies
- A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
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