Two-electron wavefunctions are matrix product states with bond dimension three

被引：2

作者：

Friesecke, Gero ^{[1
]}

Graswald, Benedikt R. ^{[1
]}

机构：

[1] Tech Univ Munich, Dept Math, Munich, Germany

来源：

JOURNAL OF MATHEMATICAL PHYSICS | 2022年 / 63卷 / 09期

关键词：

D O I：

10.1063/5.0072261

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

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页数：12

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