@article { ISI:000273051800057,
	title = {Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction},
	journal = {Chemical Physics Letters},
	volume = {484},
	number = {4-6},
	year = {2010},
	month = {JAN},
	pages = {374-379},
	publisher = {ELSEVIER SCIENCE BV},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>Periodic systems are best described by the pseudo-potential methods. However, the accuracy of its description depends on the cut-off of plane wave basis. This is much more critical in the case of weak interactions, where a clear understanding on the influence of plane wave cut-off on the structural and electronic properties is not readily available in the literature. In the present work, we have taken a metal substituted beta zeolite-H2O complex for understanding this objective. Our studies show that while a lower cut-off of 500 eV is sufficient for the convergence of the structural parameters, description of energy-dependent properties necessitates a high cut-off value. (C) 2009 Elsevier B.V. All rights reserved.</p>},
	issn = {0009-2614},
	doi = {10.1016/j.cplett.2009.11.041},
	author = {Kulkarni, Bhakti S. and Krishnamurty, Sailaja and Pal, Sourav}
}
