Title
Ab-initio excitation spectrum of the CO-Ar Van der waals molecule
Date Issued
01 December 2004
Access level
metadata only access
Resource Type
conference paper
Author(s)
Universidad Simón BolÃvar
Abstract
In the present contribution we performed ab initio calculations at the CCSD(T) level of theory in the framework of the supermolecule approach on the CO-Ar van der Waals (vdW) complex. The interaction energy of the ground CO(X 1Σ)-Ar( 1S) and excited CO(A 1Π)- Ar( 1 S) states and corresponding vertical excitation energies are therefore calculated.
Start page
978
End page
981
Volume
5622
Issue
PART 2
Language
English
OCDE Knowledge area
QuÃmica inorgánica, QuÃmica nuclear
Scopus EID
2-s2.0-17644414918
Source
Proceedings of SPIE - The International Society for Optical Engineering
ISSN of the container
0277786X
Sponsor(s)
Los autores agradecen al Consejo Nacional de Investigaciones CientÃficas CONICIT (Becas: G-97000741 y G-97000593) y al Decanato de Investigaciones de la Universidad Simón BolÃvar (Becas GID-13) por el apoyo continuo al presente trabajo de investigación.
Sources of information:
Directorio de Producción CientÃfica
Scopus