English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Zur Invarianz in der LCAO MO Theorie

MPS-Authors
/persons/resource/persons205113

Fischer,  Herbert
Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons205840

Kollmar,  Herbert
Max Planck Institute for Medical Research, Max Planck Society;

Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Fischer, H., & Kollmar, H. (1968). Zur Invarianz in der LCAO MO Theorie. Theoretica Chimica Acta, 12(4), 344-348. doi:10.1007/BF00527554.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002D-566E-F
Abstract
The invariance of semiempirical MO theories with respect to transformations of the AO basis set is reconsidered using the concept of equivalent bases. The consequences of invariance requirements for π theories are investigated. Using an invariant formulation of HMO theory an interesting relationship between cumulenes and (Möbius)-cyclopolyenes can be demonstrated.