# Characterizing Destructive Quantum Interference in Electron Transport

## TL;DR

This paper introduces a novel method to characterize destructive quantum interference in molecular electron transport using interference vectors, distinguishing between sensitive and robust interference effects, applicable across various molecules.

## Contribution

The work develops a new characterization scheme for quantum interference in molecules, providing a systematic way to analyze interference robustness and shape of transmission functions.

## Key findings

- Interference vectors can be orbital-based or a combination of orbitals.
- Robust interference is less sensitive to perturbations.
- The scheme applies broadly to different molecules and coupling patterns.

## Abstract

Destructive quantum interference in electron transport through molecules provides an unconventional route for suppressing electric current. In this work we introduce "interference vectors" for each interference and use them to characterize the interference. An interference vector may be an orbital of the bare molecule, in which case the interference is very sensitive to perturbation. In contrast, an interference vector may be a combination of multiple molecular orbitals, leading to more robust interference that is likelier to be experimentally observable. Our characterization scheme quantifies these two possibilities through the degree of rotation and also assigns an order to each interference that describes the shape of the Landauer-B\"uttiker transmission function around the interference. Several examples are then presented, showcasing the generality of our theory and characterization scheme, which is not limited to specific classes of molecules or particular molecule-electrode coupling patterns.