Morse inequalities for ordered eigenvalues of generic self-adjoint families

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-08-12 DOI:10.1007/s00222-024-01284-y
Gregory Berkolaiko, Igor Zelenko
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Abstract

In many applied problems one seeks to identify and count the critical points of a particular eigenvalue of a smooth parametric family of self-adjoint matrices, with the parameter space often being known and simple, such as a torus. Among particular settings where such a question arises are the Floquet–Bloch decomposition of periodic Schrödinger operators, topology of potential energy surfaces in quantum chemistry, spectral optimization problems such as minimal spectral partitions of manifolds, as well as nodal statistics of graph eigenfunctions. In contrast to the classical Morse theory dealing with smooth functions, the eigenvalues of families of self-adjoint matrices are not smooth at the points corresponding to repeated eigenvalues (called, depending on the application and on the dimension of the parameter space, the diabolical/Dirac/Weyl points or the conical intersections). This work develops a procedure for associating a Morse polynomial to a point of eigenvalue multiplicity; it utilizes the assumptions of smoothness and self-adjointness of the family to provide concrete answers. In particular, we define the notions of non-degenerate topologically critical point and generalized Morse family, establish that generalized Morse families are generic in an appropriate sense, establish a differential first-order conditions for criticality, as well as compute the local contribution of a topologically critical point to the Morse polynomial. Remarkably, the non-smooth contribution to the Morse polynomial turns out to depend only on the size of the eigenvalue multiplicity and the relative position of the eigenvalue of interest and not on the particulars of the operator family; it is expressed in terms of the homologies of Grassmannians.

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一般自相关族有序特征值的莫尔斯不等式
在许多应用问题中,人们试图识别和计算自相关矩阵的光滑参数族的特定特征值的临界点,而参数空间通常是已知和简单的,如环面。出现这种问题的特殊环境包括周期薛定谔算子的 Floquet-Bloch 分解、量子化学中势能面的拓扑学、流形的最小谱分区等谱优化问题,以及图特征函数的节点统计。与处理光滑函数的经典莫尔斯理论不同,自相关矩阵族的特征值在重复特征值对应的点(根据应用和参数空间维度的不同,称为diabolical/Dirac/Weyl点或锥形交点)上并不光滑。本研究开发了一种将莫尔斯多项式与特征值重复点相关联的程序;该程序利用族的平滑性和自相接性假设来提供具体的答案。特别是,我们定义了非退化拓扑临界点和广义莫尔斯族的概念,确定了广义莫尔斯族在适当意义上的泛型,建立了临界性的微分一阶条件,并计算了拓扑临界点对莫尔斯多项式的局部贡献。值得注意的是,对莫尔斯多项式的非光滑贡献原来只取决于特征值倍率的大小和相关特征值的相对位置,而不取决于算子族的具体情况;它是用格拉斯曼同调来表示的。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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