P. Serra et S. Kais, MULTICRITICAL PHENOMENA FOR THE HYDROGEN MOLECULE AT THE LARGE-DIMENSION LIMIT, Chemical physics letters, 260(1-2), 1996, pp. 302-308
We show that symmetry breaking of the electronic structure configurati
ons for the Hartree-Fock hydrogen molecule at the large-dimension limi
t 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 configur
ations. This phase diagram is characterized by a bicritical point wher
e the two continuous phase transition lines join a first order transit
ion line.