Targeting specific eigenvectors and eigenvalues of a given Hamiltonian using arbitrary selection criteria

Article

关键词: QUANTUM DOTS;    LARGE MATRICES;    PSEUDOPOTENTIALS;    ALGORITHMS;    ITERATION;    LOWEST;    ENERGY;   

DOI  :  10.1103/PhysRevB.66.245104

来源: SCIE

【 摘 要 】

We present a method for calculating some select eigenvalues and corresponding eigenvectors of a given Hamiltonian. We show that it is possible to target the eigenvalues and eigenvectors of interest without diagonalizing the full Hamiltonian, by using any arbitrary physical property of the eigenvectors. This allows us to target, for example, the eigenvectors based on their localization properties (e.g., states localized at a given surface or interface). We also show that the method scales linearly with system size.

【 授权许可】

Free