We show that symmetry breaking of the electronic structure configurations for the Hartree-Fock hydrogen molecule at the large-dimension limit can be described as standard phase transitions. The phase diagram in the internuclear distance-nuclear charge plane shows three different stable phases corresponding to different electronic structure configurations. This phase diagram is characterized by a bicritical point where the two continuous phase transition lines join a first order transition line.
|Number of pages||7|
|Journal||Chemical Physics Letters|
|Publication status||Published - 20 Sep 1996|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics