@article{guerout_core_2009,
	title = {Core {Repulsion} {Effects} in {Alkali} {Trimers}},
	volume = {109},
	issn = {0020-7608},
	doi = {10.1002/qua.22304},
	abstract = {The present article is related to a talk presented during the Symposium   on Coherent Control and Ultracold Chemistry held during the Sixth   Congress of the International Society for Theoretical Chemical Physics   (ISTCP-VI, July 2008). The talk was entitled "Electronic structure   properties of alkali dimers and trimers. Prospects for alignment of   ultracold molecules." Here we report on the electrostatic repulsion   forces of the ionic cores at short separation, involved when the   potential energy surfaces of alkali trimers are calculated with a   quantum chemistry approach based on effective large-core potentials for   ionic core description. We demonstrate that such forces in the triatomic   molecule can be obtained as the sum of three pairwise terms. We   illustrate our results on the lowest electronic states of Cs(3), which   are computed for the first time within a full configuration interaction   based on a large Gaussian basis set. As a preliminary section, we also   propose a brief introduction about the importance of alkali trimer   systems in the context of cold and ultracold molecules. (C) 2009 Wiley   Periodicals, Inc. Int J Quantum Chem 109:3387-3398, 2009},
	number = {14},
	journal = {International Journal of Quantum Chemistry},
	author = {Guerout, R. and Soldan, P. and Aymar, M. and Deiglmayr, J. and Dulieu, O.},
	month = nov,
	year = {2009},
	note = {WOS:000270884200020},
	keywords = {Quantum chemistry},
	pages = {3387--3398},
}

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