@inproceedings{2e3fd15e80af4a98b5be1afe38f4c636,

title = "Coherent-states dynamics: A Tribute to N. Yngve {\"O}hrn",

abstract = "Inspired by {\"O}hrn's electron nuclear dynamics (END), a new coherent-states dynamics (CSD) to study chemical reactions is presented. CSD exploits basic properties of coherent states (CS) sets to represent the electrons and nuclei in a reactive system, and advances the concept of quasi-classical CS to formulate quantum/classical treatments. An original feature in CSD is its systematic employment of different types of CS to address specific chemical problems; some of those CS have been created by this author. In that context, END is revisited and some modifications are suggested. A full CSD procedure to calculate chemical reaction properties (e.g. differential cross sections) is also introduced in conjunction with semiclassical techniques. Res.ults of simulations and properties calculations of the He+ C 2H4 and H+ + CO2 reactive systems at ELab = 30 eV are presented in comparison with experimental data. Current efforts in the CSD project (such as a CSD compute grid implementation and a CSD density-functional-theory formulation) are finally discussed.",

keywords = "Coherent-states theory, Electron nuclear dynamics, Proton-molecule collisions, Semiclassical theory",

author = "Morales, {Jorge A.}",

year = "2007",

doi = "10.1063/1.2827028",

language = "English",

isbn = "9780735404779",

series = "AIP Conference Proceedings",

number = "1",

pages = "460--473",

booktitle = "Computational Methods in Science and Engineering - Theory and Computation",

edition = "1",

note = "null ; Conference date: 25-09-2007 Through 30-09-2007",

}