Did you know that you can do a Löwdin orthogonalization by a singular value decomposition? Usually, when I hear Löwdin orthogonalization, I think of some weird S1/2 matrix, which scares me and I tend to stay away from it... But this pdf from the University of Oregon claims that you can do it in a different way. And it seems to work.
Say you have a matrix A and you want an orthogonal matrix that resembles it as closely as possible. What do you do? First you do a singular value decomposition of A:
Macrocycles, flexibility and biological activity: A tortuous pairing - Here's an interesting paper from the Jacobson, Wells and Walsh labs at UCSF and Stanford that seeks to demonstrate how restricting the flexibility of macr...
3 days ago