@article {1704,
	title = {Density functional theory calculation of K-shell excitation of nitrous oxide},
	journal = {Chemical Physics Letters},
	volume = {441},
	number = {4-6},
	year = {2007},
	note = {Chong, Delano P.},
	month = {Jun},
	pages = {209-212},
	abstract = {The inner-shell excitation of N2O is studied with DFT. Choice of functional and basis set affects the accuracy. In this work, we employ a basis of augmented even-tempered valence quadruple-zeta basis of Slater-type orbitals. For the excitation energies, we use our approximation of Delta E(PW86-PW91), plus small relativistic correction; and, for estimation of relative intensities, we use time-dependent DFT. The results confirm the earlier conclusion that Delta E(PW86-PW91) can give quite reliable excitation energies. The average absolute deviation of 11 calculated excitations from experiment is only 0.26 eV. The quality of the f-values is harder to judge because of experimental difficulties. (c) 2007 Elsevier B.V. All rights reserved.},
	isbn = {0009-2614},
	url = {<Go to ISI>://000247985400008},
	author = {Chong, D. P.}
}
