Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone

Author: Toffoli Daniele   Sparta Manuel   Christiansen Ove  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.109, Iss.5, 2011-03, pp. : 673-685

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Abstract