Xα-SW calculations of the electronic str
✍
Alessandro Bencini; Dante Gatteschi
📂
Article
📅
1989
🏛
Elsevier Science
🌐
English
⚖ 418 KB
The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter