Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example
- A.D. McLean
- B.H. Lengsfield III
- et al.
- 1985
- The Journal of Chemical Physics
Paper
Publications
13 results for Y. Ellinger
The structure of linear SiCC: An ab initio SCF CI study including vibrational effects
- F. Pauzat
- Y. Ellinger
- 1984
- Chemical Physics Letters
PaperCorrelation effects on cis-trans energy differences in open-shell systems: The hoco radical as an example
- A.D. McLean
- Y. Ellinger
- 1983
- Chemical Physics Letters
Paper