Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections-Reference-Cited by-同舟云学术

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections

Published:2015 Issue:38 Volume:17 Page:24641-24665
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Reimers Jeffrey R.¹²³⁴⁵,McKemmish Laura K.⁶⁷⁸⁹¹⁰,McKenzie Ross H.¹¹¹²¹³,Hush Noel S.¹⁰¹⁴¹⁵¹³¹⁶

Affiliation:

1. International Centre for Quantum and Molecular Structure

2. College of Sciences, Shanghai University

3. Shanghai 200444

4. China

5. School of Mathematical and Physical Sciences

6. Department of Physics and Astronomy

7. University College London

8. London

9. UK

10. School of Chemistry

11. School of Mathematics and Physics

12. The University of Queensland

13. Australia

14. The University of Sydney

15. Sydney

16. School of Molecular Biosciences

Abstract

Analytical and numerical solutions describing Born–Oppenheimer breakdown in a simple, widely applicable, model depict shortcomings in modern computational methods.

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02238J

Reference196 articles.

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