21073210

Source:http://linkedlifedata.com/resource/pubmed/id/21073210

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0034385, umls-concept:C0205143, umls-concept:C0337196, umls-concept:C0439810, umls-concept:C0563533, umls-concept:C0563597, umls-concept:C1441506, umls-concept:C1514861, umls-concept:C1521991, umls-concept:C1527178, umls-concept:C1705938, umls-concept:C1882932
pubmed:issue	18
pubmed:dateCreated	2010-11-15
pubmed:abstractText	An efficient method is presented for rigorous quantum calculations of atom-molecule and molecule-molecule collisions in a magnetic field. The method is based on the expansion of the wave function of the collision complex in basis functions with well-defined total angular momentum in the body-fixed coordinate frame. We outline the general theory of the method for collisions of diatomic molecules in the (2)? and (3)? electronic states with structureless atoms and with unlike (2)? and (3)? molecules. The cross sections for elastic scattering and Zeeman relaxation in low-temperature collisions of CaH((2)?(+)) and NH((3)?(-)) molecules with (3)He atoms converge quickly with respect to the number of total angular momentum states included in the basis set, leading to a dramatic (>10-fold) enhancement in computational efficiency compared to the previously used methods [A. Volpi and J. L. Bohn, Phys. Rev. A 65, 052712 (2002); R. V. Krems and A. Dalgarno, J. Chem. Phys. 120, 2296 (2004)]. Our approach is thus well suited for theoretical studies of strongly anisotropic molecular collisions in the presence of external electromagnetic fields.
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/0375360
pubmed:citationSubset	IM
pubmed:status	MEDLINE
pubmed:month	Nov
pubmed:issn	1089-7690
pubmed:author	pubmed-author:DalgarnoAA, pubmed-author:TscherbulT VTV
pubmed:issnType	Electronic
pubmed:day	14
pubmed:volume	133
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	184104
pubmed:meshHeading	pubmed-meshheading:21073210-Magnetics, pubmed-meshheading:21073210-Models, Chemical, pubmed-meshheading:21073210-Quantum Theory
pubmed:year	2010
pubmed:articleTitle	Quantum theory of molecular collisions in a magnetic field: efficient calculations based on the total angular momentum representation.
pubmed:affiliation	Harvard-MIT Center for Ultracold Atoms, Cambridge, Massachusetts 02138, USA. tshcherb@cfa.harvard.edu
pubmed:publicationType	Journal Article, Research Support, U.S. Gov't, Non-P.H.S.