4,444 research outputs found
Symmetric Tensor Decomposition Description of Fermionic Many-Body Wavefunctions
The configuration interaction (CI) is a versatile wavefunction theory for
interacting fermions but it involves an extremely long CI series. Using a
symmetric tensor decomposition (STD) method, we convert the CI series into a
compact and numerically tractable form. The converted series encompasses the
Hartree-Fock state in the first term and rapidly converges to the full-CI
state, as numerically tested using small molecules. Provided that the length of
the STD-CI series grows only moderately with the increasing complexity of the
system, the new method will serve as one of the alternative variational methods
to achieve full-CI with enhanced practicability.Comment: 10 pages, 6 figure
Alien Registration- Hitchcock, Charles M. (Presque Isle, Aroostook County)
https://digitalmaine.com/alien_docs/33446/thumbnail.jp
- …