Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Σ(-)(g))-O2((3)Σ(-)(g)) dimer

10 pages, 5 figures, 3 tables.-- PACS nrs.: 31.15.bw; 34.20.Gj; 33.15.Bh; 33.20.Tp; 31.50.-x; 31.15.A-.

Bibliographic Details
Authors: Bartolomei, Massimiliano, Carmona-Novillo, Estela, Hernández, Marta I., Campos-Martínez, José, Hernández-Lamoneda, Ramón
Format: article
Publication Date:2008
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/13380
Online Access:http://hdl.handle.net/10261/13380
Access Level:Open access
Keyword:Van der Waals
Log-derivative method
O2-O2 dimer
O2 Molecules
Heisenberg exchange
Wave-functions
[PACS] Coupled-cluster theory
[PACS] Intermolecular and atom-molecule potentials and forces
[PACS] General molecular conformation and symmetry
stereochemistry
[PACS] Vibrational analysis (molecular spectra)
[PACS] Potential energy surfaces (atoms and molecules)
[PACS] Ab initio calculations (atoms and molecules)
Description
Summary:10 pages, 5 figures, 3 tables.-- PACS nrs.: 31.15.bw; 34.20.Gj; 33.15.Bh; 33.20.Tp; 31.50.-x; 31.15.A-.