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Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties
- Source :
- Christiansen, O, Halkier, A, Koch, H, Jørgensen, P & Helgaker, T 1998, ' Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties ', Journal of Chemical Physics, vol. 108, no. 7, 2801 . https://doi.org/10.1063/1.475671
- Publication Year :
- 1998
-
Abstract
- An atomic integral-direct implementation of molecular linear-response properties and excited-state one-electron properties is presented for the coupled cluster models CCS, CC2, and CCSD. Sample calculations are presented for the polarizability of N2and for excited-state one-electron properties and transition-properties of furan. © 1998 American Institute of Physics.
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- Christiansen, O, Halkier, A, Koch, H, Jørgensen, P & Helgaker, T 1998, ' Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties ', Journal of Chemical Physics, vol. 108, no. 7, 2801 . https://doi.org/10.1063/1.475671
- Accession number :
- edsair.doi.dedup.....0a5bf13ff08a501cb337b7a06b9dbe7f