Mean excitation energies for molecular ions

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Mean excitation energies for molecular ions. / Jensen, Phillip W. K.; Sauer, Stephan P. A.; Oddershede, Jens; Sabin, John R.

I: Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms, Bind 394, 2017, s. 73-80.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningfagfællebedømt

Harvard

Jensen, PWK, Sauer, SPA, Oddershede, J & Sabin, JR 2017, 'Mean excitation energies for molecular ions', Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms, bind 394, s. 73-80. https://doi.org/10.1016/j.nimb.2016.12.034

APA

Jensen, P. W. K., Sauer, S. P. A., Oddershede, J., & Sabin, J. R. (2017). Mean excitation energies for molecular ions. Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms, 394, 73-80. https://doi.org/10.1016/j.nimb.2016.12.034

Vancouver

Jensen PWK, Sauer SPA, Oddershede J, Sabin JR. Mean excitation energies for molecular ions. Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms. 2017;394:73-80. https://doi.org/10.1016/j.nimb.2016.12.034

Author

Jensen, Phillip W. K. ; Sauer, Stephan P. A. ; Oddershede, Jens ; Sabin, John R. / Mean excitation energies for molecular ions. I: Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms. 2017 ; Bind 394. s. 73-80.

Bibtex

@article{57926f481d324b5097820832e1cb934a,
title = "Mean excitation energies for molecular ions",
abstract = "The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.",
keywords = "Faculty of Science, Mean excitation energy, Stopping Power, Molecular Ions, Quantum Chemistry, Computational Chemistry, Excitation Energy",
author = "Jensen, {Phillip W. K.} and Sauer, {Stephan P. A.} and Jens Oddershede and Sabin, {John R.}",
year = "2017",
doi = "10.1016/j.nimb.2016.12.034",
language = "English",
volume = "394",
pages = "73--80",
journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Mean excitation energies for molecular ions

AU - Jensen, Phillip W. K.

AU - Sauer, Stephan P. A.

AU - Oddershede, Jens

AU - Sabin, John R.

PY - 2017

Y1 - 2017

N2 - The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

AB - The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

KW - Faculty of Science

KW - Mean excitation energy

KW - Stopping Power

KW - Molecular Ions

KW - Quantum Chemistry

KW - Computational Chemistry

KW - Excitation Energy

U2 - 10.1016/j.nimb.2016.12.034

DO - 10.1016/j.nimb.2016.12.034

M3 - Journal article

VL - 394

SP - 73

EP - 80

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

ER -

ID: 170148318