Optimal control of dissociation of nitrogen molecule with intense ultra-short laser pulse shaping

Rasti, Soroush; Irani, E.; Sadighi‐Bonabi, R.

doi:10.1016/j.molstruc.2014.11.001

Cited by 3 publications

(2 citation statements)

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“…Due to the multi-orbital effects, molecular dynamics analysis and controlling of molecular dynamics is considerably complicated. In this paper, following our recent theoretical and experimental studies on the dissociation of methane [18][19][20]…”

Section: Introductionmentioning

confidence: 99%

Selective photo-dissociative ionization of methane molecule with TDDFT study

Irani

Anvari

Sadighi‐Bonabi

2017

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Three dimensional calculation of control dynamics for finding the optimized laser filed is formulated using an iterative method and time-dependent density functional approach. An appropriate laser pulse is designed to control the desired products in the dissociation of methane molecule. The tailored laser pulse profile, eigenstate distributions and evolution of the efficient occupation numbers are predicted and exact energy levels of this five-atomic molecule is obtained. Dissociation rates of up to 78%, 80%, 90%, and 82% for CH, CH, C and C are achieved. Based on the present approach one can reduce the controlling costs.

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Section: Introductionmentioning

confidence: 99%

Selective photo-dissociative ionization of methane molecule with TDDFT study

Irani

Anvari

Sadighi‐Bonabi

2017

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…We have previously explained the dissociation of the methane molecule and the controlling of electron and nuclear dynamics of the nitrogen molecule via a shaped laser field with approximate optimization methods. [27][28][29] In the present work, our aim is to present a comprehensive model enable to account for i) time-resolved visualization of the molecular dynamics and non-adiabatic controlling the dissociation pathways, ii) besides the complexity of the molecules, the effect of nuclear motion is considered which makes the analysis of the molecular dynamics more difficult, iii) orientation dependence of strong laser field dissociation, iv) considering the excited electronic states which can significantly effect on the angular dependence of the ionization efficiency. These issues have been only partially tackled in the literature.…”

Section: Introductionmentioning

confidence: 99%