Two-electron wavefunctions are matrix product states with bond dimension three
نویسندگان
چکیده
We prove the statement in title for a suitable (wavefunction-dependent) choice of underlying orbitals and show that 3 is optimal. Thus, two-electron systems, quantum chemistry density matrix renormalization group (QC-DMRG) method with bond dimension combined fermionic mode optimization exactly recovers full configuration-interaction (FCI) energy.
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ژورنال
عنوان ژورنال: Journal of Mathematical Physics
سال: 2022
ISSN: ['0022-2488', '1527-2427', '1089-7658']
DOI: https://doi.org/10.1063/5.0072261