Advances in Physical Chemistry / 2013 / Article / Fig 8

Research Article

Quantum-Dynamical Theory of Electron Exchange Correlation

Figure 8

Wave functions along z at at for the state of H2. Solid: spin-up electron. Dotted: spin-down electron. The dotted curve which is symmetric about the two proton positions is calculated for the interelectronic interaction artificially set equal to zero, demonstrating that the correct dissociation limit into two hydrogen atoms, as shown by the solid and dotted curves asymmetric about the two protons, depends critically on the interelectronic interaction.