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

83 Citations (Scopus)

542 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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10.1016/j.cpc.2019.107062Licence: Unspecified

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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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

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 - Reader
- Centre for Light-Matter Interaction (CLMI)
Person: Research, Academic

83 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
27 Link opens in a new tab Citations (Scopus)

264 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

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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, 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",

year = "2020",

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

language = "English",

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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

T1 - 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

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.

U2 - 10.1016/j.cpc.2019.107062

DO - 10.1016/j.cpc.2019.107062

M3 - Article

SN - 0010-4655

VL - 250

JO - Computer Physics Communications

JF - Computer Physics Communications

M1 - 107062

ER -

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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