Advances in Physical Chemistry / 2013 / Article / Fig 4

Research Article

Quantum-Dynamical Theory of Electron Exchange Correlation

Figure 4

Quantum eigentrajectories in the z direction. Inner curves: . Outer curves: . The inner curves show how the two electrons correlate with increasing time and eventually find the region of covalent bonding located between the two protons fixed at au, while the outer curves show that the electrons remain in the vicinity of the separated atoms for all times. The eigentrajectories are calculated from (7) in the nonrelativistic limit using eigenfunctions for the up and down spin states for the state of H2.