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Theoretical Characterisation of the Electronic Excitation in Liquid Water
Author(s) -
Aschi Massimiliano,
D′Abramo Marco,
Di Teodoro Carla,
Di Nola Alfredo,
Amadei Andrea
Publication year - 2005
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200400265
Subject(s) - excitation , liquid water , molecular dynamics , electronic structure , chemistry , chemical physics , matrix (chemical analysis) , atomic physics , molecular physics , materials science , computational chemistry , thermodynamics , physics , chromatography , quantum mechanics
Exciting water: Molecular dynamics (MD) simulations and perturbed matrix method (PMM) calculations were used to obtain detailed information about electronic excitation in liquid water. The graphic shows the excitation spectrum of liquid water at 300 K as obtained by the PMM calculations.