| Literature DB >> 30753072 |
Abstract
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.Entities:
Year: 2019 PMID: 30753072 DOI: 10.1021/acs.jctc.9b00128
Source DB: PubMed Journal: J Chem Theory Comput ISSN: 1549-9618 Impact factor: 6.006