Real-time control of electronic motion: Application to NaI

Michael Grønager, Niels Engholm Henriksen

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

We study theoretically the electronic and nuclear dynamics in NaI. After a femtosecond pulse has prepared a wave packet in the first excited state, we consider the adiabatic and the nonadiabatic electronic dynamics and demonstrate explicitly that a nonstationary electron is created in NaI corresponding to electron transfer between Na and I. The electronic motion is introduced via nuclear motion, more specifically, through nonadiabatic curve crossing and the electronic motion is here on the same time scale as the nuclear motion. We show that the branching ratio between the channels Na + I and Na+ + I- depends on the electron distribution (i.e., where the electron "sits") prior to the time where the bond is broken by a subpicosecond half-cycle unipolar electromagnetic pulse. Thus we control, in real time, which nucleus one of the valence electrons will follow after the bond is broken. (C) 1998 American Institute of Physics.
Original languageEnglish
JournalJournal of Chemical Physics
Volume109
Issue number11
Pages (from-to)4335-4341
ISSN0021-9606
DOIs
Publication statusPublished - 1998

Bibliographical note

Copyright (1998) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Keywords

  • STATES
  • SEQUENCE INDUCED CONTROL
  • IONIZATION
  • ENERGY CURVES
  • LASER CONTROL
  • SCHRODINGER-EQUATION
  • PHOTODISSOCIATION
  • QUANTUM-MECHANICAL CALCULATIONS
  • CYCLE ELECTROMAGNETIC PULSES
  • MOLECULAR-DYNAMICS

Cite this

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title = "Real-time control of electronic motion: Application to NaI",
abstract = "We study theoretically the electronic and nuclear dynamics in NaI. After a femtosecond pulse has prepared a wave packet in the first excited state, we consider the adiabatic and the nonadiabatic electronic dynamics and demonstrate explicitly that a nonstationary electron is created in NaI corresponding to electron transfer between Na and I. The electronic motion is introduced via nuclear motion, more specifically, through nonadiabatic curve crossing and the electronic motion is here on the same time scale as the nuclear motion. We show that the branching ratio between the channels Na + I and Na+ + I- depends on the electron distribution (i.e., where the electron {"}sits{"}) prior to the time where the bond is broken by a subpicosecond half-cycle unipolar electromagnetic pulse. Thus we control, in real time, which nucleus one of the valence electrons will follow after the bond is broken. (C) 1998 American Institute of Physics.",
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author = "Michael Gr{\o}nager and Henriksen, {Niels Engholm}",
note = "Copyright (1998) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.",
year = "1998",
doi = "10.1063/1.477036",
language = "English",
volume = "109",
pages = "4335--4341",
journal = "Journal of Chemical Physics",
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}

Real-time control of electronic motion: Application to NaI. / Grønager, Michael; Henriksen, Niels Engholm.

In: Journal of Chemical Physics, Vol. 109, No. 11, 1998, p. 4335-4341.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Real-time control of electronic motion: Application to NaI

AU - Grønager, Michael

AU - Henriksen, Niels Engholm

N1 - Copyright (1998) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

PY - 1998

Y1 - 1998

N2 - We study theoretically the electronic and nuclear dynamics in NaI. After a femtosecond pulse has prepared a wave packet in the first excited state, we consider the adiabatic and the nonadiabatic electronic dynamics and demonstrate explicitly that a nonstationary electron is created in NaI corresponding to electron transfer between Na and I. The electronic motion is introduced via nuclear motion, more specifically, through nonadiabatic curve crossing and the electronic motion is here on the same time scale as the nuclear motion. We show that the branching ratio between the channels Na + I and Na+ + I- depends on the electron distribution (i.e., where the electron "sits") prior to the time where the bond is broken by a subpicosecond half-cycle unipolar electromagnetic pulse. Thus we control, in real time, which nucleus one of the valence electrons will follow after the bond is broken. (C) 1998 American Institute of Physics.

AB - We study theoretically the electronic and nuclear dynamics in NaI. After a femtosecond pulse has prepared a wave packet in the first excited state, we consider the adiabatic and the nonadiabatic electronic dynamics and demonstrate explicitly that a nonstationary electron is created in NaI corresponding to electron transfer between Na and I. The electronic motion is introduced via nuclear motion, more specifically, through nonadiabatic curve crossing and the electronic motion is here on the same time scale as the nuclear motion. We show that the branching ratio between the channels Na + I and Na+ + I- depends on the electron distribution (i.e., where the electron "sits") prior to the time where the bond is broken by a subpicosecond half-cycle unipolar electromagnetic pulse. Thus we control, in real time, which nucleus one of the valence electrons will follow after the bond is broken. (C) 1998 American Institute of Physics.

KW - STATES

KW - SEQUENCE INDUCED CONTROL

KW - IONIZATION

KW - ENERGY CURVES

KW - LASER CONTROL

KW - SCHRODINGER-EQUATION

KW - PHOTODISSOCIATION

KW - QUANTUM-MECHANICAL CALCULATIONS

KW - CYCLE ELECTROMAGNETIC PULSES

KW - MOLECULAR-DYNAMICS

U2 - 10.1063/1.477036

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