Efficiency of a controlled use of Davidson's correction for the calculation of excitation energies: vertical spectrum of trans-butadiene

Author: Cabrero Jesús   Caballol Rosa   Malrieu Jean-Paul  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.100, Iss.6, 2002-03, pp. : 919-926

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Abstract