Collect. Czech. Chem. Commun. 1981, 46, 1365-1369

Study of potential curves by UHF type methods. Potential curve of F2 molecule

Viliam Klimo and Jozef Tiňo

Polymer Institute, Slovak Academy of Sciences, 809 34 Bratislava


The potential curve of the F2 molecule was described with the use of the RHF, UHF, RMP2, UMP2, and PUHF methods and compared with the experimental one. Thus, the peculiarities of the various methods were revealed. The results suggest the direction of a further development of UHF type methods which would ensure a correct description of the given curve.