Impact of Local and Density Fitting Approximations on Harmonic Vibrational Frequencies
Author:
Affiliation:
1. Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp055578f
Reference57 articles.
1. Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
2. A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
3. Excited vibrational states of polyatomic molecules: the semiclassical self-consistent field approach
4. Localizability of dynamic electron correlation
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