Comparativeab initiostudies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2939574
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2. Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy
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4. C. W. Bauschlicher, inEncyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, 1998), p. 3084.
5. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods
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2. Hyper Open-Shell States: The Lowest Excited Spin States of O Atom, Fe2+ Ion, and FeF2;Journal of the American Chemical Society;2017-08-30
3. Molecular structure and spectra of titanium and vanadium trifluorides: Complete basis set CCSD(T) study;Russian Journal of Physical Chemistry A;2013-12-18
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