Skip to main content
. 2020 Jun 8;25(11):2667. doi: 10.3390/molecules25112667

Figure 1.

Figure 1

Energies of H2+ and H2 (valence-bond (VB)) (total energy E, kinetic energy T, potential energy V, all relative to the H and H + H atoms respectively), computed using minimal H 1s atomic orbital (AO) basis with exponent ζ optimized (full lines) and fixed at the H atomic value of 1 (dashed lines).