Ab-initio valence bond calculations
- 1 September 1977
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 34 (3) , 745-754
- https://doi.org/10.1080/00268977700102071
Abstract
Energy and wave functions for the ground and lowest excited states of C2H2 and C2H2 + have been obtained by means of ab-initio valence bond calculations. The results are compared with the experimental photoelectron spectrum of C2H2.Keywords
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