Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde-Reference-Cited by-同舟云学术

Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde

Published:2009-12-14 Issue:22 Volume:131 Page:224109
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hammer Thorsten,Coutinho-Neto Mauricio D.,Viel Alexandra,Manthe Uwe

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3272610

Reference53 articles.

1. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

2. The intramolecular hydrogen bond in malonaldehyde

3. Microwave spectroscopic study of malonaldehyde (3-hydroxy-2-propenal). 2. Structure, dipole moment, and tunneling

4. Microwave spectroscopic study of malonaldehyde. 3. Vibration-rotation interaction and one-dimensional model for proton tunneling

5. Microwave spectroscopic study of malonaldehyde. 4. Vibration-rotation interaction in parent species

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