 |
Journal articles
Ab initio study of the spin-orbit coupling between the A1Σ +u and b 3Πu electronic states of Na2
Abstract : Accurate ab initio representation of the ground X1Σ +g , excited A1Σ +u and b3Πu electronic states of Na$_2$ are computed, along with transition dipole moment between X1Σ +g and A1Σ +u and the spin-orbit coupling term between A1Σ +u andb3Πu . These data are used to simulate an experiment involving these three states to investigate the effect of spin-orbit coupling on the dynamics of a wave packet oscillating on the A1Σ +u state (S. Rutz et al. Chem. Phys. Lett., 257, 365-373 (1996)).
Keywords :
Physical Sciences
Cited literature [22 references]
https://hal.archives-ouvertes.fr/hal-00513072
Contributor : Hal Peer <>
Submitted on : Wednesday, September 1, 2010 - 3:27:11 AM
Last modification on : Wednesday, February 26, 2020 - 7:06:16 PM
Long-term archiving on: : Thursday, December 1, 2016 - 8:37:56 AM
Contributor : Hal Peer <>
Submitted on : Wednesday, September 1, 2010 - 3:27:11 AM
Last modification on : Wednesday, February 26, 2020 - 7:06:16 PM
Long-term archiving on: : Thursday, December 1, 2016 - 8:37:56 AM
File
PEER_stage2_10.1080%2F00268970...
Files produced by the author(s)