A theoretical study of the electronic spectrum of naphthalene. Rubio, M., Merchán, M., Ortí, E., & Roos, B. O Chemical Physics, 179(3):395–409, 1994. ISBN: 0301-0104![A theoretical study of the electronic spectrum of naphthalene [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex Ab initio calculations have been carried out for the singlet and triplet excited states of naphthalene. Excitation energies have been calculated using multiconfigurational second order perturbation theory (CASPT2). The study comprises a total of 32 states, ten singlet and ten triplet excited states, in addition to the 1au→3s, 3p, dipole-allowed 3d, and 2b1u→3s, 3p Rydberg states. Computed excitation energies and oscillator strengths make possible confident assignments of the main features reported in the singlet-singlet and triplet-triplet experimental spectra.
@article{rubio_theoretical_1994,
title = {A theoretical study of the electronic spectrum of naphthalene},
volume = {179},
url = {http://www.sciencedirect.com/science/article/pii/0301010494870160},
doi = {http://dx.doi.org/10.1016/0301-0104(94)87016-0},
abstract = {Ab initio calculations have been carried out for the singlet and triplet excited states of naphthalene. Excitation energies have been calculated using multiconfigurational second order perturbation theory (CASPT2). The study comprises a total of 32 states, ten singlet and ten triplet excited states, in addition to the 1au→3s, 3p, dipole-allowed 3d, and 2b1u→3s, 3p Rydberg states. Computed excitation energies and oscillator strengths make possible confident assignments of the main features reported in the singlet-singlet and triplet-triplet experimental spectra.},
number = {3},
journal = {Chemical Physics},
author = {Rubio, Mercedes and Merchán, Manuela and Ortí, Enrique and Roos, Björn O},
year = {1994},
note = {ISBN: 0301-0104},
pages = {395--409},
}
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