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 Ab initio MRCI, CCSD(T) to DFT methods  Generation of PESs: fitting and interpolation schemes van der Waals complexes  Protonated hydrogen clusters 
 Classical, quantumstatistical to quantum mechanical treatments  Zeropoint energy, rovibrational states, and spectra  Photodissociation dynamics 
 Periodic orbit method: classical chaotic behavior  Semiclassical quantization: quantum localization  Highly excited vibrational dynamics of polyatomic molecules 
 Single particle and collective transport coefficients e.g. diffusion, viscocity  Hydrogen bond network: liquid water potential models, e.g. rigid, flexible, polarizable 