CALCULATION OF HIGHLY EXCITED MOLECULAR-SPECTRA

Authors
LEFORESTIER C
Citation
C. Leforestier, CALCULATION OF HIGHLY EXCITED MOLECULAR-SPECTRA, Journal de chimie physique et de physico-chimie biologique, 95(8), 1998, pp. 1876-1891
Citations number
17
Categorie Soggetti
Biology,"Chemistry Physical
Journal title
Journal de chimie physique et de physico-chimie biologique → ACNP
Volume
95
Issue
8
Year of publication
1998
Pages
1876 - 1891
Database
ISI
SICI code
Abstract
Recent methods aimed at computing highly excited molecular spectra are presented. Two types of complementary methods are discussed: improvem ent of the molecular basis set by preconditioning, and iterative appro aches designed to extract a few levels from a complex spectrum.