Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.479452
Reference33 articles.
1. An accurateab initioHOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment
2. Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum
3. An ab initio quartic force field and the fundamental frequencies ofo-benzyne
4. Abinitiocalculations of anharmonic vibrational transition intensities oftrans‐2,3‐dideuteriooxirane
5. Ab Initio Calibration Study of the Heat of Formation, Geometry, and Anharmonic Force Field of Fluoroacetylene
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