The aim of this joint CECAM-Psi_k Network workshop is to bring together the key theoreticians who have analyzed the nature of hydrogen bonding and the quality of xc-functionals for describing them. The main objective is to discuss the accuracy of different exchange correlation functionals for predicting interactions in hydrogen bonded systems.

 Ability of xc-functionals for describing hydrogen bonding                                            
 (benchmarking  xc functionals with respect to  MP2, CI, CC, Quantum Monte Carlo)

The nature of the hydrogen bonding  interaction

Hydrogen bonding cooperativity

Dynamical properties of hydrogen bonded systems
 (vibrational properties, proton-transfer barriers)