Dynamics of electrons and nuclei

作者：Deumens Erik^*; Oehrn Yngve

来源：Molecular Physics, 2010, 108(21-23): 3195-3198.

DOI：10.1080/00268976.2010.494630

• electronic structure
• molecular dynamics
• time-dependent

This paper presents the theory of Electron Nuclear Dynamics (END), which was developed and applied over the past 20 years or so in collaboration with a group of talented graduate students and postdoctoral associates. The Introduction presents the gist of this theoretical and computational approach to the study of molecular transformations. The next section outlines the major achievements of this time-dependent, direct, and non-adiabatic theory to the study of chemical change.

• 出版日期2010