We explain why the conventional argument for deriving the time-dependent Born-Oppenheimer approximation is incomplete and review recent mathematical results, which clarify the situation and at the same time provide a systematic scheme for higher order corrections. We also present a new elementary derivation of the correct second-order time-dependent Born-Oppenheimer approximation and discuss as applications the dynamics near a conical intersection of potential surfaces and reactive scattering.
The time-dependent Born-Oppenheimer approximation / Panati, Gianluca; Herbert, Spohn; Stefan, Teufel. - In: MODÉLISATION MATHÉMATIQUE ET ANALYSE NUMÉRIQUE. - ISSN 0764-583X. - 41:2(2007), pp. 297-314. [10.1051/m2an:2007023]
The time-dependent Born-Oppenheimer approximation
PANATI, GIANLUCA;
2007
Abstract
We explain why the conventional argument for deriving the time-dependent Born-Oppenheimer approximation is incomplete and review recent mathematical results, which clarify the situation and at the same time provide a systematic scheme for higher order corrections. We also present a new elementary derivation of the correct second-order time-dependent Born-Oppenheimer approximation and discuss as applications the dynamics near a conical intersection of potential surfaces and reactive scattering.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
