Non-Hermitian quantum mechanics and exceptional points in molecular electronics

被引:5
|
作者
Ernzerhof, Matthias [1 ]
Giguere, Alexandre [1 ,2 ]
Mayou, Didier [3 ]
机构
[1] Univ Montreal, Dept Chim, CP 6128 Succursale A, Montreal, PQ H3C 3J7, Canada
[2] Coll Mil Royal St Jean, Dept Sci Nat, St Jean, PQ J3B 8R8, Canada
[3] Inst Neel, 25 Ave Martyrs,BP 166, F-38042 Grenoble 9, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2020年 / 152卷 / 24期
基金
加拿大自然科学与工程研究理事会;
关键词
ANALYTICAL-MODEL; CONDUCTION; TRANSPORT; STATES; WIRES;
D O I
10.1063/5.0006365
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In non-Hermitian (NH) quantum mechanics, Hamiltonians are studied whose eigenvalues are not necessarily real since the condition of hermiticity is not imposed. Certain symmetries of NH operators can ensure that some or all of the eigenvalues are real and thus suitable for the description of physical systems whose energies are always real. While the mathematics of NH quantum mechanics is well developed, applications of the theory to real quantum systems are scarce, and no closed system is known whose Hamiltonian is NH. Here, we consider the elementary textbook example of a NH Hamiltonian matrix, and we show how it naturally emerges as a simplifying concept in the modeling of molecular electronic devices. We analyze the consequences of non-Hermiticity and exceptional points in the spectrum of NH operators for the molecular conductance and the spectral density of simple models for molecules on surfaces.
引用
收藏
页数:8
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