Ab initio calculations on the ground and excited states of molecules
In this work the results of highly correlated <i>ab initio</i> calculations on the low-lying states of propyne, furan, and the copper dimer are reported. The excitation energies obtained are used to interpret the electronic spectra of these molecules. The electronic spectra of propyne an...
| Main Author: | |
|---|---|
| Published: |
University of Edinburgh
1993
|
| Subjects: | |
| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.641259 |