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**Nonadiabatic laser-induced alignment of molecules : Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis.** / Sondergaard, Anders Aspegren; Shepperson, Benjamin; Stapelfeldt, Henrik.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

Sondergaard, AA, Shepperson, B & Stapelfeldt, H 2017, 'Nonadiabatic laser-induced alignment of molecules: Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis', *Journal of Chemical Physics*, vol. 147, no. 1, 013905. https://doi.org/10.1063/1.4975817

Sondergaard, A. A., Shepperson, B., & Stapelfeldt, H. (2017). Nonadiabatic laser-induced alignment of molecules: Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis. *Journal of Chemical Physics*, *147*(1), [013905]. https://doi.org/10.1063/1.4975817

Sondergaard AA, Shepperson B, Stapelfeldt H. 2017. Nonadiabatic laser-induced alignment of molecules: Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis. Journal of Chemical Physics. 147(1):Article 013905. https://doi.org/10.1063/1.4975817

Sondergaard, Anders Aspegren, Benjamin Shepperson, and Henrik Stapelfeldt. "Nonadiabatic laser-induced alignment of molecules: Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis". *Journal of Chemical Physics*. 2017. 147(1). https://doi.org/10.1063/1.4975817

Sondergaard AA, Shepperson B, Stapelfeldt H. Nonadiabatic laser-induced alignment of molecules: Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis. Journal of Chemical Physics. 2017 Jul 7;147(1). 013905. https://doi.org/10.1063/1.4975817

Sondergaard, Anders Aspegren ; Shepperson, Benjamin ; Stapelfeldt, Henrik. / **Nonadiabatic laser-induced alignment of molecules : Reconstructing <cos(2) theta > directly from <cos(2) theta(2D)> by Fourier analysis**. In: Journal of Chemical Physics. 2017 ; Vol. 147, No. 1.

@article{cd35d66c75e948a6902c152b4cc73db5,

title = "Nonadiabatic laser-induced alignment of molecules: Reconstructing directly from by Fourier analysis",

abstract = "We present an efficient, noise-robust method based on Fourier analysis for reconstructing the threedimensional measure of the alignment degree, directly from its two-dimensional counterpart, The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of These additional frequency components can be identified and removed from the Fourier spectrum of By rescaling of the remaining frequency components, the Fourier spectrum of h is obtained and, finally, is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the trace from a measured trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I-2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of and in general.",

keywords = "ALIGNING MOLECULES, 6J SYMBOLS, FIELDS, PHOTODISSOCIATION, POLARIZATION, DIFFRACTION, PULSES, 3J",

author = "Sondergaard, {Anders Aspegren} and Benjamin Shepperson and Henrik Stapelfeldt",

year = "2017",

month = jul,

day = "7",

doi = "10.1063/1.4975817",

language = "English",

volume = "147",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "AMER INST PHYSICS",

number = "1",

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TY - JOUR

T1 - Nonadiabatic laser-induced alignment of molecules

T2 - Reconstructing directly from by Fourier analysis

AU - Sondergaard, Anders Aspegren

AU - Shepperson, Benjamin

AU - Stapelfeldt, Henrik

PY - 2017/7/7

Y1 - 2017/7/7

N2 - We present an efficient, noise-robust method based on Fourier analysis for reconstructing the threedimensional measure of the alignment degree, directly from its two-dimensional counterpart, The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of These additional frequency components can be identified and removed from the Fourier spectrum of By rescaling of the remaining frequency components, the Fourier spectrum of h is obtained and, finally, is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the trace from a measured trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I-2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of and in general.

AB - We present an efficient, noise-robust method based on Fourier analysis for reconstructing the threedimensional measure of the alignment degree, directly from its two-dimensional counterpart, The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of These additional frequency components can be identified and removed from the Fourier spectrum of By rescaling of the remaining frequency components, the Fourier spectrum of h is obtained and, finally, is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the trace from a measured trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I-2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of and in general.

KW - ALIGNING MOLECULES

KW - 6J SYMBOLS

KW - FIELDS

KW - PHOTODISSOCIATION

KW - POLARIZATION

KW - DIFFRACTION

KW - PULSES

KW - 3J

U2 - 10.1063/1.4975817

DO - 10.1063/1.4975817

M3 - Journal article

C2 - 28688434

VL - 147

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 1

M1 - 013905

ER -