TY - JOUR
T1 - Electronic coherences built by an attopulse control the forces on the nuclei
AU - Cardosa-Gutierrez, Manuel
AU - Levine, R. D.
AU - Remacle, F.
N1 - Publisher Copyright:
© 2024 IOP Publishing Ltd.
PY - 2024/7/12
Y1 - 2024/7/12
N2 - Attopulses have an energy bandwidth broad enough to coherently excite several electronic states of molecules. Towards the control of chemical reactivity by attopulses we derive the quantum mechanical expression for the force exerted on the nuclei in such a vibronic wave packet both during and after the exciting pulse. Tuning the pulse parameters allows accessing specific electronic coherences that determine the force strength and direction during and after the pulse. Following the pulse, the force due to the non adiabatic interactions accelerates or slows down the motion of the vibronic wave packet on the excited electronic states and its sign controls the direction of population transfer. Computational results for the LiH and LiT molecules and the probing by the emission dipole are discussed.
AB - Attopulses have an energy bandwidth broad enough to coherently excite several electronic states of molecules. Towards the control of chemical reactivity by attopulses we derive the quantum mechanical expression for the force exerted on the nuclei in such a vibronic wave packet both during and after the exciting pulse. Tuning the pulse parameters allows accessing specific electronic coherences that determine the force strength and direction during and after the pulse. Following the pulse, the force due to the non adiabatic interactions accelerates or slows down the motion of the vibronic wave packet on the excited electronic states and its sign controls the direction of population transfer. Computational results for the LiH and LiT molecules and the probing by the emission dipole are discussed.
KW - attochemistry
KW - quantum mechanical force
KW - ultrafast vibronic quantum dynamics
UR - http://www.scopus.com/inward/record.url?scp=85195545750&partnerID=8YFLogxK
U2 - 10.1088/1361-6455/ad4fd3
DO - 10.1088/1361-6455/ad4fd3
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.systematicreview???
AN - SCOPUS:85195545750
SN - 0953-4075
VL - 57
JO - Journal of Physics B: Atomic, Molecular and Optical Physics
JF - Journal of Physics B: Atomic, Molecular and Optical Physics
IS - 13
M1 - 133501
ER -