Electron scattering cross sections from anthracene over a broad energy range (0.00001-10,000 eV)

Area of Science:

• Computational physics and chemistry
• Quantum scattering theory
• Molecular physics

Background:

• Electron scattering data is crucial for understanding molecular interactions and material properties.
• Anthracene is a polycyclic aromatic hydrocarbon with relevance in various chemical and physical processes.
• Accurate cross-section data is needed for modeling electron-molecule interactions.

Purpose of the Study:

• To computationally investigate electron scattering by anthracene in the gas phase.
• To calculate integral and differential cross sections for electron-anthracene interactions.
• To provide a complete dataset of integral scattering cross sections over a broad energy spectrum.

Main Methods:

• Employed two distinct ab-initio quantum scattering methods.
• Utilized the symmetry adapted-single centre expansion method (ePOLYSCAT) for low energies.
• Applied a screening corrected form of the independent atom model (IAM-SCAR) for high energies.

Main Results:

• Calculated integral and differential cross sections for electron scattering by anthracene.
• Evaluated the accuracy and applicability of both computational methods.
• Generated a complete set of integral scattering cross sections from 0.00001 to 10,000 eV.

Conclusions:

• The study provides a comprehensive dataset for electron scattering by anthracene.
• The employed methods offer reliable cross-section calculations across different energy regimes.
• This data can be valuable for theoretical and experimental studies involving anthracene.