@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",
}