Compressed determinant manifolds in FeMoco CAS(54,54) on a desktop workstation — looking for technical feedback
I would appreciate technical feedback from the quantum computing / computational chemistry community on a manuscript I recently submitted.
The work examines whether the physically relevant determinant manifold in structured electronic ground states may be far smaller than the formal Hilbert-space dimension suggests.
Main result:
- FeMoco CAS(54,54)
- formal determinant space: ~3.79 × 10^30
- retained determinants: ~748,000
- single desktop workstation (RTX 4090)
- PT2-based convergence / variational inclusion workflow
The manuscript also includes:
- H₂ and LiH benchmark validation against FCI
- supporting code and data files
- discussion of determinant-space compressibility
- DTQW-guided determinant graph navigation
I am NOT claiming that all many-electron systems are universally compressible, nor that quantum computing is unnecessary.
The point is narrower: for the systems examined here, the physically relevant manifold appears highly compressed and computationally navigable.
I would genuinely appreciate criticism, reproduction attempts, or technical discussion from people working in quantum chemistry, tensor methods, selected CI, quantum algorithms, or many-body physics.
Especially interested in whether similar manifold compression behavior has been observed in other frameworks.
Manuscript and supporting materials:
https://zenodo.org/records/19985028