One approach to the control of intramolecular hydrogen transfer

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ABSTRACT:In this work, we first aim to realize the complete laser-induced photodissociation of the OH molecule, and then intend to control the wavepacket generated on the continuum state, i.e., to achieve the laser control of the abovethreshold dissociation (ATD) spectrum. To numerically solve the Schrö dinger equation, we adopt the split operator method (SOM), which conserves the norm of the state vector, and can treat both discrete and continuum states simultaneously and correctly. This photodissociation process induced by the multiphoton absorption involves the ATD spectrum due to the continuum-continuum transition by the intense electric field. First, we investigate the detailed mechanism of the complete photodissociation with the one-color laser pulse by changing the laser parameters. Then, we investigate the control of the ATD spectrum by using the two-color laser field, where we focus on the role of the relative phase and position of two laser pulses. To analyze the population of both discrete and continuum states involved in the resultant wavepacket, we show the effective method by means of the quasicontinuum state on the Morse potential obtained by numerically diagonalizing the Fourier grid Hamiltonian (FGH).

Section: Resultsmentioning

confidence: 99%

Laser control of photodissociation process in diatomic molecule

Tawada

Sugimori

Sano

et al. 2009

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“…The extension to a two‐ or three‐dimensional system or more degrees of freedom is easy, and such an extension is in progress. The application to the optical control of a large molecule is also of interest 16.…”

Section: Resultsmentioning

confidence: 99%

Ionization process of the hydrogen atom in intense laser fields: Non–Born‐Oppenheimer 1D model calculations

Ohta¹,

Maki

Nagao

et al. 2003

ABSTRACT:The ionization process of the hydrogen atom in two-color laser field is investigated based on non-Born-Oppenheimer one-dimensional model. In this model, both electron and nucleus are described by the time-dependent Hartree equations. By numerically solving the equations, the influence of the relative phase of the laser field with the spatial distribution of electron and nucleus is investigated. For ϭ 0, the electron is moved to the direction in which the maximum of the asymmetric combined electric field pointed. For ϭ /2, the electron is shown to be pulled in the opposite direction.

“…In future work, we will consider the dynamics of several physical properties such as the polarizability and hyperpolarizability 32. We will also extend this work to more modern techniques such as time‐dependent density functional theory 33, and then we will calculate proton and electron dynamics such as the proton tunneling of malonaldehyde 34 and the ionization process of small molecules in the two‐color laser field.…”

Section: Discussionmentioning

confidence: 99%

Non‐born–oppenheimer density functional theory for excited states by using green's function techniques

Yoshimoto

Ohta

Maki

et al. 2001

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ABSTRACT:We have proposed a numerical scheme for the non-Born-Oppenheimer density functional calculation based upon the Green function techniques within the GW approximation for evaluating quasiparticle excitations of the electronic and nuclear motion in the full quantum mechanical treatment. We calculate the excitation energy and the orbital energy of a hydrogen molecule, a muon molecule, and a positronium-hydrogen complex within the treatment of the dynamical screening.