Electronic wavefunction with maximally entangled MPS representation

TL;DR

This paper introduces a maximally entangled matrix product state (MPS) representation for electronic wavefunctions, demonstrating a construction that achieves the maximal bond dimension regardless of basis reordering.

Contribution

It provides a novel example of an electronic wavefunction with maximally entangled MPS, applicable to any number of electrons and orbitals, highlighting fundamental entanglement limits.

Findings

Maximal bond dimension in MPS cannot be reduced by basis reordering.

Construction applicable for any number of electrons and orbitals.

Demonstrates fundamental entanglement properties of electronic wavefunctions.

Abstract

We present an example of an electronic wavefunction with maximally entangled MPS representation, in the sense that the bond dimension is maximal and cannot be lowered by any re-ordering of the underlying one-body basis. Our construction works for any number of electrons and orbitals.