A microcanonical Monte Carlo method for simulating vibrationally excited molecules embedded in clusters

Autor:	Alison J. Marks
Rok vydání:	1997
Předmět:	Fixed energy Red shift Argon chemistry Excited state Molecular vibration Monte Carlo method General Physics and Astronomy chemistry.chemical_element Molecule Physical and Theoretical Chemistry Atomic physics Blueshift
Zdroj:	The Journal of Chemical Physics. 106:6977-6984
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.473721
Popis:	A microcanonical (fixed energy) Monte Carlo method is described for the study of weakly bound heteroclusters. A model for calculating classical vibrational frequency shifts is also presented. Preliminary results are reported for He8I2 and Ar8I2 clusters. In the argon clusters, the I2 frequency is red shifted but for He8I2 a blue shift is found at higher solvent energies.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::07726d47aa2b4915064e3f1b4b00abc4 https://doi.org/10.1063/1.473721 Zobrazit plný text záznamu