Reply Reply to a comment on “overlap revisited”

✍ Scribed by L. Salem; G. Berthier; J.-M. Lefour; T. Koga; J. Durup

• Publisher: Elsevier Science
• Year: 1990
• Tongue: English
• Weight: 191 KB
• Volume: 166
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(90)87164-m

✦ Synopsis

In reply to Senn, the authors show that the "dyavalent" concept of Salem et al. does have physical meaning. First, a wavefunction with a dyavalent component improves the energy of Hz. Second it is shown that dyavalence belongs to a family of symmetrybreaking situations where memory of the symmetric case is carried over (in the Born-Oppenheimer approximation) into unsymmetric situations, and an appropriate description is made. Third, a physical indication of dyavalence might be obtained by comparing the energy curves for dissociation of different appropriate states of Hz.