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Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case

B. Lasorne,a   M. A. Robba and   G. A. Worth*b  
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Department of Chemistry, Imperial College London, South Kensington, London, UK
E-mail: b.lasorne@imperial.ac.uk;, mike.robb@imperial.ac.uk
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, UK
E-mail: g.a.worth@bham.ac.uk;
Fax: +44(0)12 1414 4403
Phys. Chem. Chem. Phys., 2007,9, 3210-3227

DOI: 10.1039/B700297A
Received 08 Jan 2007, Accepted 05 Apr 2007
First published online 04 May 2007
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