Titlebook: Energy Storage and Redistribution in Molecules; Juergen Hinze Conference proceedings 1983 Plenum Press, New York 1983 atoms.chaos.dynamics

Coeval

Ab-Initio Studies of the Molecular Symmetry Breaking Problem: Low Lying States of CO2 and NO2,C-O (or N-O) bond lengths to avoid the symmetry breaking problem encountered in RHF-calculations. This problem is analyzed..The spectroscopic properties derived from the calculated NO. surface show that the method used is capable of yielding quantitatively correct results.