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Advances in Quantum Chemistry by Per-Olov Lowdin, Vincenzo Barone, Alessandro Lami, Erkki J. Brandas, Michael C. Zerner, John R. Sabin

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Lanczos calculation of the X˜2A1/A˜2B2si11_e nonadiabatic Franck-Condon absorption spectrum of NO21

Fabrizio Santoro; Carlo Petrongoloa    Dipartimento di Chimica, Università di Siena, Pian dei Mantellini 44, 1-53100, Siena, Italy.a Electronic mail: email address: petro@carlo.icqem.pi.cnr.it

Abstract

The nonadiabatic absorption spectrum of the X˜2A1/A˜2B2si12_e conical intersection of NO2 has been investigated by the Lanczos method. Within the Franck-Condon approximation, we have calculated both cold and hot intensities up to 22000 cm− 1, by using a nonorthogonal ...

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