Ab initio calculations of open-shell triatomic systems. Fit of these
potential energy surfaces. Use of the GENERALIZED BORN-OPPENHEIMER MODEL for the
dynamics and photodissociation.
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version of my PhD thesis.
List of publications:
Theoretical study of the He-HF+ complex II.
Rovibronic states from coupled diabatic potential energy surfaces
G. Dhont, W. B. Zeimen, G. C. Groenenboom, and A. van der Avoird J. Chem. Phys. Vol. 120, Iss. 1, p. 103 (2004)
Bound states of the Cl(2P)-HCl van der Waals complex from coupled ab initio potential energy surfaces.
W. B. Zeimen, J. Klos, G. C. Groenenboom, and A. van der Avoird J. Phys. Chem. A Vol. 107, Iss. 25, p. 5110 (2003)
Singlet-triplet excitation spectrum of the CO-He complex I: Potential surfaces and bound-bound CO (a3PX1S+) transitions.
W. B. Zeimen, G. C. Groenenboom, and A. van der Avoird J. Chem. Phys. Vol. 119, Iss. 1, p. 131 (2003)
Singlet-triplet excitation spectrum of the CO-He complex II: Photodissociation and bound-free CO (a3PX1S+) transitions.
W. B. Zeimen, G. C. Groenenboom, and A. van der Avoird J. Chem. Phys. Vol. 119, Iss. 1, p. 141 (2003)
Diabatic intermolecular potentials and bound states of open-shell atom-molecule dimers: Application to the F(2P)-H2 complex
W. B. Zeimen, J. Klos, G. C. Groenenboom, and A. van der Avoird J. Chem. Phys. Vol. 118, Iss. 16, p. 7340 (2003)
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