RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses

Andrew Brown; Gregory Armstrong; Jakub Benda; Daniel Clarke; Jack Wragg; Kathryn Hamilton; Zdenek Masin; Jimena Gorfinkiel; Hugo Van Der Hart

doi:10.1016/j.cpc.2019.107062

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses

Andrew Brown, Gregory Armstrong, Jakub Benda, Daniel Clarke, Jack Wragg, Kathryn Hamilton, Zdenek Masin, Jimena Gorfinkiel, Hugo Van Der Hart

School of Mathematics and Physics

Research output: Contribution to journal › Article › peer-review

71 Citations (Scopus)

364 Downloads (Pure)

Abstract

RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multi-photon and strong-field), recollision (high-harmonic generation, strong-field rescattering), and more generally absorption or scattering processes with a full account of the multielectron correlation effects in a time-dependent manner. Calculations can be performed for targets interacting with ultrashort, intense laser pulses of long-wavelength and arbitrary polarization. Calculations for atoms can optionally include the Breit-Pauli correction terms for the description of relativistic (in particular, spin-orbit) effects.

Original language	English
Article number	107062
Number of pages	22
Journal	Computer Physics Communications
Volume	250
Early online date	25 Nov 2019
DOIs	https://doi.org/10.1016/j.cpc.2019.107062
Publication status	Published - 01 May 2020

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RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multielectron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses
Copyright 2019 Elsevier. This manuscript is distributed under a Creative Commons Attribution-NonCommercial-NoDerivs License (https://creativecommons.org/licenses/by-nc-nd/4.0/), which permits distribution and reproduction for non-commercial purposes, provided the author and source are cited.
Accepted author manuscript, 1.84 MBLicence: CC BY-NC-ND

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2 Finished

R1728TCP: R-matrix Suites for Multielectron Attosecond Dynamics in Atoms and Molecules Irradiated by Arbitrarily Polarised Light
Van Der Hart, H. (PI) & Brown, A. (CoI)
08/05/2017 → 28/02/2020
Project: Research
R1725TCP: ARMouReD: Atomic R-matrix Method for Relativistic Dynamics
Van Der Hart, H. (PI), Ballance, C. (CoI) & Brown, A. (CoI)
08/02/2017 → 31/07/2020
Project: Research

1 Invited or keynote talk at national or international conference
1 Invited talk

The RMT project: Adventures in spin
Brown, A. (Invited speaker)
10 Feb 2021
Activity: Talk or presentation types › Invited talk
The RMT project
Brown, A. (Invited speaker)
10 Sept 2020
Activity: Talk or presentation types › Invited or keynote talk at national or international conference

Ultrafast Atomic Dynamics in Arbitrary Light Fields
Clarke, D. (Author), Van Der Hart, H. (Supervisor) & Brown, A. (Supervisor), Jul 2020
Student thesis: Doctoral Thesis › Doctor of Philosophy

File

Andrew Brown
- andrew.brownqub.acuk
- School of Mathematics and Physics - Research Software Engineer
- Centre for Light-Matter Interaction (CLMI)
Person: Research

71 Citations
1 Article
1 Software

Perturbative and nonperturbative photoionization of H2 and H2O using the molecular R-matrix-with-time method
Benda, J., Gorfinkiel, J., Masin, Z., Armstrong, G., Brown, A., Clarke, D., Van Der Hart, H. & Wragg, J., 23 Nov 2020, In: Physical Review A (Atomic, Molecular, and Optical Physics). 102, 052826
Research output: Contribution to journal › Article › peer-review

Open Access
File
25 Citations (Scopus)

216 Downloads (Pure)
The R-matrix with time dependence (RMT) code
Brown, A. (Developer), Van Der Hart, H. (Developer), Armstrong, G. (Developer), Wragg, J. (Developer), Clarke, D. (Developer), Gorfinkiel, J. (Developer), Benda, J. (Developer) & Masin, Z. (Developer), 11 Nov 2019
Research output: Non-textual form › Software

Cite this

Brown, A., Armstrong, G., Benda, J., Clarke, D., Wragg, J., Hamilton, K., Masin, Z., Gorfinkiel, J., & Van Der Hart, H. (2020). RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses. Computer Physics Communications, 250, Article 107062. https://doi.org/10.1016/j.cpc.2019.107062

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title = "RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses",

abstract = "RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multi-photon and strong-field), recollision (high-harmonic generation, strong-field rescattering), and more generally absorption or scattering processes with a full account of the multielectron correlation effects in a time-dependent manner. Calculations can be performed for targets interacting with ultrashort, intense laser pulses of long-wavelength and arbitrary polarization. Calculations for atoms can optionally include the Breit-Pauli correction terms for the description of relativistic (in particular, spin-orbit) effects.",

author = "Andrew Brown and Gregory Armstrong and Jakub Benda and Daniel Clarke and Jack Wragg and Kathryn Hamilton and Zdenek Masin and Jimena Gorfinkiel and {Van Der Hart}, Hugo",

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doi = "10.1016/j.cpc.2019.107062",

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Brown, A, Armstrong, G, Benda, J, Clarke, D, Wragg, J, Hamilton, K, Masin, Z, Gorfinkiel, J & Van Der Hart, H 2020, 'RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses', Computer Physics Communications, vol. 250, 107062. https://doi.org/10.1016/j.cpc.2019.107062

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses. / Brown, Andrew; Armstrong, Gregory; Benda, Jakub et al.
In: Computer Physics Communications, Vol. 250, 107062, 01.05.2020.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

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AU - Brown, Andrew

AU - Armstrong, Gregory

AU - Benda, Jakub

AU - Clarke, Daniel

AU - Wragg, Jack

AU - Hamilton, Kathryn

AU - Masin, Zdenek

AU - Gorfinkiel, Jimena

AU - Van Der Hart, Hugo

PY - 2020/5/1

Y1 - 2020/5/1

N2 - RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multi-photon and strong-field), recollision (high-harmonic generation, strong-field rescattering), and more generally absorption or scattering processes with a full account of the multielectron correlation effects in a time-dependent manner. Calculations can be performed for targets interacting with ultrashort, intense laser pulses of long-wavelength and arbitrary polarization. Calculations for atoms can optionally include the Breit-Pauli correction terms for the description of relativistic (in particular, spin-orbit) effects.

AB - RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multi-photon and strong-field), recollision (high-harmonic generation, strong-field rescattering), and more generally absorption or scattering processes with a full account of the multielectron correlation effects in a time-dependent manner. Calculations can be performed for targets interacting with ultrashort, intense laser pulses of long-wavelength and arbitrary polarization. Calculations for atoms can optionally include the Breit-Pauli correction terms for the description of relativistic (in particular, spin-orbit) effects.

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DO - 10.1016/j.cpc.2019.107062

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VL - 250

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Brown A, Armstrong G, Benda J, Clarke D, Wragg J, Hamilton K et al. RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses. Computer Physics Communications. 2020 May 1;250:107062. Epub 2019 Nov 25. doi: 10.1016/j.cpc.2019.107062

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses

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