Abstract
The frameworks of the applicability of the semiclassical adiabatic approach suggested by Borrás-Almenar, Coronado and Tsukerblat to the magnetic problem of mixed valence clusters are considered in a model taking into account magnetic exchange, double exchange and vibronic interaction. The results for the quantum-mechanical and semicalssical calculation of the temperature-variable magnetic moments are compared with those within the scope of the semiclassical approximation for the dimeric d1-d2 clusters and trimeric d1-d1-d2 systems with partial delocalization over a pair of ions. The semiclassical approach describes with high accuracy the temperature dependencies of the magnetic moments. Cases of the inapplicability of the semiclassical approach are pointed out.
Original language | English |
---|---|
Pages (from-to) | 525-530 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 217 |
Issue number | 5-6 |
DOIs | |
State | Published - 28 Jan 1994 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry