Mean excitation energies for molecular ions

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

卷:394

Article

Jensen, Philip W. K.¹  Sauer, Stephan P. A.¹  Oddershede, Jens^2,3  Sabin, John R.^2,3 

[1] Univ Copenhagen, Dept Chem, Copenhagen, Denmark

[2] Univ Southern Denmark, Dept Phys Chem & Pharm, Odense, Denmark

[3] Univ Florida, Quantum Theory Project, Dept Chem & Phys, Gainesville, FL 32611 USA

关键词: Molecular ions;    Stopping power;    Mean excitation energy;    Polarization propagator;   

DOI  :  10.1016/j.nimb.2016.12.034

来源: Elsevier

【 摘 要 】

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. (C) 2017 Elsevier B.V. All rights reserved.

【 授权许可】

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