Topological quantum chemistry (TQC) is a successful framework for identifying noninteracting topological materials, based on the symmetry analysis of the Bloch Hamiltonian and on reference states known as atomic limits. However, TQC grinds to a halt once interactions are included. Here, the authors put forward a framework analogous to TQC, but employing $n$ -particle Green's function techniques to indicate topology in interacting systems. Fundamentally, they define a class of interacting reference states that generalize the notion of atomic limits, which they call Mott atomic limits. The reference states are symmetry protected topological states.Topological quantum chemistry (TQC) is a successful framework for identifying noninteracting topological materials, based on the symmetry analysis of the Bloch Hamiltonian and on reference states known as atomic limits. However, TQC grinds to a halt once interactions are included. Here, the authors put forward a framework analogous to TQC, but employing $n$-particle Green's function techniques to indicate topology in interacting systems. Fundamentally, they define a class of interacting reference states that generalize the notion of atomic limits, which they call Mott atomic limits. The reference states are symmetry protected topological states.

arXiv:2209.10556Physical review. B./Physical review. BJun 29, 202325 citations

Quantum Topology Field Theory and Quantum Chemistry Computational Framework

Jincheng Zhang

This paper investigates the integration of Quantum Topology Field Theory (QTFT) with Quantum Chemistry Computational Frameworks to enhance molecular structure prediction and reaction mechanism study. We propose a novel coupling strategy leveraging the unique properties of topological fields to facilitate accurate molecular structure assessment and accelerate computational efficiency. The core mechanism centers on utilizing the parallel processing capabilities of quantum computing to optimize the process of predicting molecular structures, thereby offering a significant advancement over traditional quantum chemistry methods. This work explores the potential of this integrated approach to unlock new insights into chemical reactivity and molecular design. The study demonstrates the feasibility of employing QTFT for predicting specific molecular properties and reaction pathways, ultimately contributing to a more efficient and insightful quantum chemistry approach.This paper investigates the integration of Quantum Topology Field Theory (QTFT) with Quantum Chemistry Computational Frameworks to enhance molecular structure prediction and reaction mechanism study. We propose a novel coupling strategy leveraging the unique properties of topological fields to facilitate accurate molecular structure assessment and accelerate computational efficiency. The core mechanism centers on utilizing the parallel processing capabilities of quantum computing to optimize the process of predicting molecular structures, thereby offering a significant advancement over traditional quantum chemistry methods. This work explores the potential of this integrated approach to unlock new insights into chemical reactivity and molecular design. The study demonstrates the feasibility of employing QTFT for predicting specific molecular properties and reaction pathways, ultimately contributing to a more efficient and insightful quantum chemistry approach.

Sep 2, 20260 citations

Topological quantum computation

Tapio Simula

Morgan & Claypool Publishers eBooksJul 1, 201913 citations

Topological quantum computation

Giuseppe Mussardo

Springer eBooksJan 1, 20250 citations

n

-particle Green's function techniques to indicate topology in interacting systems. Fundamentally, they define a class of interacting reference states that generalize the notion of atomic limits, which they call Mott atomic limits. The reference states are symmetry protected topological states.