Two-electron wavefunctions are matrix product states with bond dimension three
Abstract
We prove the statement in the title for a suitable (wavefunction-dependent) choice of the underlying orbitals and show that 3 is optimal. Thus, for two-electron systems, the quantum chemistry density matrix renormalization group (QC-DMRG) method with bond dimension 3 combined with fermionic mode optimization exactly recovers the full configuration-interaction (FCI) energy.
- Publication:
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Journal of Mathematical Physics
- Pub Date:
- September 2022
- DOI:
- 10.1063/5.0072261
- arXiv:
- arXiv:2109.10091
- Bibcode:
- 2022JMP....63i1901F
- Keywords:
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- Quantum Physics;
- Mathematical Physics
- E-Print:
- doi:10.1063/5.0072261