Wave-packet State-to-state diff. cross-sections  
Coupled diabatic PES's for the OH+F system  
New inversion technique for Embedding pot.
    Reactivity on Metallic Nano-Objects  


Welcome to Octavio Roncero´s Homepage

My scientific interest focuss on quantum molecular dynamics, for the description of collisional as well as photoinitiated processes, involving reactivity and non adiabatic transitions. To this aim I have developed methods and codes for studying quantum dynamics (such as wave packets, time independent close coupling methods, bound states, etc), and for the obtaining of potential energy surfaces (adiabatic surface fitting, diabatization techniques to get coupled diabatic electronic states, embedding techniques,etc).
ADDRESS Serrano 123, 28006 Madrid (Spain)
TEL +34-91-561.6800 Ext. 1124
  FAX +34-91-585 4894
Investigador Científico desde el 2002 en el Departamento de Física Atómica y Molecular Teórica del Instituto de Matemáticas y Fısica Fundamental (CSIC)