Coupled cluster response calculations of two-photon transition probability rate constants for helium, neon and argon
- 22 May 1998
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 108 (20) , 8355-8359
- https://doi.org/10.1063/1.476262
Abstract
The implementation of two-photon transition moments is described for the hierachy of coupled cluster models CCS, CC2 and CCSD and applications are reported for the two-photon transition probability rate constants for transitions from the ground state to the first excited 1 S e state in helium and to the lowest 1 D e and 1 S e states in neon and argon. At the CCSD level the rate constant for the 1 D e transition in argon is in good agreement with the experimental rate constant and also with a recent MCSCF calculation.Keywords
This publication has 21 references indexed in Scilit:
- Multiphoton transition moments and absorption cross sections in coupled cluster response theory employing variational transition moment functionalsThe Journal of Chemical Physics, 1998
- The CC3 model: An iterative coupled cluster approach including connected triplesThe Journal of Chemical Physics, 1997
- Response functions in the CC3 iterative triple excitation modelThe Journal of Chemical Physics, 1995
- The second-order approximate coupled cluster singles and doubles model CC2Chemical Physics Letters, 1995
- Quadratic response functions for a multiconfigurational self-consistent field wave functionThe Journal of Chemical Physics, 1992
- Configuration-interaction energy derivatives in a fully variational formulationTheoretical Chemistry Accounts, 1989
- Mo/ller–Plesset energy derivativesThe Journal of Chemical Physics, 1988
- Linear and nonlinear response functions for an exact state and for an MCSCF stateThe Journal of Chemical Physics, 1985
- Two-photon transition probability calculations in noble gasesMolecular Physics, 1984
- Über Elementarakte mit zwei QuantensprüngenAnnalen der Physik, 1931