Open AccessSemiempirical, Hartree-Fock, density functional, and second order Moller-Plesset perturbation theory methods do not accurately predict ionization energies and electron affinities of short- through long-chain [n]acenes
Author(s) -
Sierra Rayne,
Sierra Rayne,
Kaya Forest
Publication year - 2011
Publication title -
nature precedings
Language(s) - English
Resource type - Journals
ISSN - 1756-0357
DOI - 10.1038/npre.2011.6578
Subject(s) - møller–plesset perturbation theory , perturbation theory (quantum mechanics) , density functional theory , ionization , affinities , electron affinity (data page) , electron , hartree–fock method , chemistry , atomic physics , computational chemistry , molecular physics , physics , quantum mechanics , molecule , ion , stereochemistry