Can I read Electronic structure of the Li2 [X 1Σ] Li [2p] excited 2A′′ surface on EtoBox?

Electronic structure of the Li2 [X 1Σ] Li [2p] excited 2A′′ surface by Jason N. Byrd; John A. Montgomery Jr.; H. Harvey Michels; Robin Côté is a Physics and Astronomy article available to read on EtoBox.

What is Electronic structure of the Li2 [X 1Σ] Li [2p] excited 2A′′ surface about?

## Abstract Potential energy surface calculations are reported for the lowest ^2^A′′ surface arising from the Li~2~ [X ^1^Σ] + Li\* [^2^P] interaction. The ^2^A′′ surface with __C__~s~ symmetry, which correlates to the ^2^B1 surface in __C__~2v~ symmetry and to the ^2^Pi surface in __C__~∞v~, has been calculated using second order restricted open‐shell Møller–Plesset theory. Our calculated surface has a minimum in __C__~2v~ symmetry that resembles the ground state surface but does not exhibit the Jahn–Teller splitting found for the ground state potential energy surface. Dipole transition moments are calculated in __C__~2v~ geometry near the ^2^A′′ minima using the internally contracted multireference singles and doubles configuration interaction theory. We have also analyzed the long range behavior of this ^2^A′′ surface by fitting the ab initio calculations at long range with a functional series of the form ±__C__~__n__~/__R__^__n__^. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

Who reads Electronic structure of the Li2 [X 1Σ] Li [2p] excited 2A′′ surface?

Author

Jason N. Byrd; John A. Montgomery Jr.; H. Harvey Michels; Robin Côté

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)

Published

2009

Language

EN

Field

Physics and Astronomy (Physical Sciences)