Adiabatic potential energy surfaces of the vinoxy radical

K. Piechowska; M.-C. Bacchus-Montabonel; Y. S. Tergiman; J. E. Sienkiewicz

doi:10.1117/12.629521

1 June 2005 Adiabatic potential energy surfaces of the vinoxy radical

K. Piechowska, M.-C. Bacchus-Montabonel, Y. S. Tergiman, J. E. Sienkiewicz

Proceedings Volume 5849, Fifth Workshop on Atomic and Molecular Physics; (2005) https://doi.org/10.1117/12.629521
Event: Fifth Workshop on Atomic and Molecular Physics, 2004, Jurata, Poland

Abstract

The three adiabatic potential surfaces of the vinoxy radical are calculated. They describe the ground and two lowest excited states. We employ the MCSCF (CASSCF) method using the MOLPRO package.

Citation Download Citation

K. Piechowska, M.-C. Bacchus-Montabonel, Y. S. Tergiman, and J. E. Sienkiewicz "Adiabatic potential energy surfaces of the vinoxy radical", Proc. SPIE 5849, Fifth Workshop on Atomic and Molecular Physics, (1 June 2005); https://doi.org/10.1117/12.629521

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