A test of the maxentropic density matrix for hydrated electrons using the results of path-integral simulation

Autor:	Sidney Golden, Thomas R. Tuttle
Rok vydání:	1990
Předmět:	Density matrix Absorption spectroscopy Computational chemistry Chemistry Product (mathematics) Path integral formulation Solvation General Physics and Astronomy Electron Physical and Theoretical Chemistry Solvated electron Computational physics
Zdroj:	Chemical Physics Letters. 170:69-70
ISSN:	0009-2614
DOI:	10.1016/0009-2614(90)87091-5
Popis:	Results of a Feynman path integral simulation of the hydrated electron are used to test the theory recently developed for estimating its density matrix directly from its optical absorption spectrum. The results indicate that the theory is reliably applicable to excess electron systems with sufficiently small values of their Heisenberg product.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b9ccc75032128b9f34842e8c6977c3f9 https://doi.org/10.1016/0009-2614(90)87091-5 Zobrazit plný text záznamu