An Improved Lower Bound to the Ground-State Energy

被引:10
|
作者
Pollak, Eli [1 ]
机构
[1] Weizmann Inst Sci, Chem & Biol Phys Dept, IL-76100 Rehovot, Israel
基金
以色列科学基金会;
关键词
EIGENVALUES; PRINCIPLE;
D O I
10.1021/acs.jctc.9b00128
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
The Arnoldi iterative method for determining eigenvalues is based on the observation that the effect of operating with the Hamiltonian on a vector may be expressed as a sum of parallel and perpendicular contributions. This identity is used here to improve the previous lower-bound estimate of the ground-state energy by Temple, derived 90 years ago [Temple. Proc. Roy. Soc. (London) 1928, A119, 276]. The significantly improved lower bound is exemplified by considering a quartic and a Morse potential. The lower bound is valid for any Hermitian operator whose discrete spectrum is bounded from below.
引用
收藏
页码:1498 / 1502
页数:5
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