Coherent dynamics in a butane molecule.
We have simulated by molecular dynamics a single molecule of butane in a thermal bath at different temperatures. We have found that the collective degrees of freedom of the essential dynamics are endowed with quite different degrees of coherence, and that those subject to the largest fluctuations are also the most coherent, that is, the least chaotic. We suggest that this pattern may be characteristic also of larger molecules. A detailed assessment of the degree of coherence has been obtained by computing in the tangent space the whole set of generalized coherence angles.
D'Alessandro
Maira
M
Department of Chemical S&T, Tor Vergata University, Via della Ricerca Scientifica 1, 00133 Rome, Italy.
Tenenbaum
Alexander
A
Amadei
Andrea
A