Comment Comment by purestatelabs 1) Not physics. I came at this from the computing side and taught myself the chemistry.2) +1 and -1. Trace 0, determinant -1, so λ² - 1. Eigenvectors (1,1)/√2 and (1,-1)/√2.Fair worry. Easier to run it than argue about it — two seconds in a browser, installs nothing:https://colab.research.google.com/github/PureStateLabs/sqd-s...It runs two archives through IBM's own pipeline. Spin completion quadruples the determinant count. The energy moves less than a nanohartree. ⟨S²⟩ doesn't move at all — sits at 4.83, target is 0. parent purestatelabs 3 months ago
2) +1 and -1. Trace 0, determinant -1, so λ² - 1. Eigenvectors (1,1)/√2 and (1,-1)/√2.
Fair worry. Easier to run it than argue about it — two seconds in a browser, installs nothing:
https://colab.research.google.com/github/PureStateLabs/sqd-s...
It runs two archives through IBM's own pipeline. Spin completion quadruples the determinant count. The energy moves less than a nanohartree. ⟨S²⟩ doesn't move at all — sits at 4.83, target is 0.