Electronic stress tensor eigenvectors

We claim that the eigenvectors of the electronic stress tensor can be used to represent the normal modes of electronic rearrangement. Here we review previous work on this topic and pursue the key ideas further, focusing on the application of the electronic stress tensor to organic reactivity. 

The eigenvectors of the electronic stress tensor, evaluated at critical points of the electron density and important structures along the reaction pathway for acetaldehyde tautomerization, are shown in Fig. 3. 

Fig. 3 Stress tensor analysis along the reaction path from the enol to the aldehyde form of acetaldehyde. The eigenvectors of the stress tensor at the critical points of the electron density are shown, labeled by their eigenvalues in increasing order, X < X2 < /I3. The stress tensor was computed at the B3LYP/6-311G(d,p) level. Further details can be found in the paper of Guevara-Garcia et al. [32]...

---