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Positron Scattering from Pyridine and Pyrimidine.

Nidhi Sinha1, Aloka Kumar Sahoo2, Bobby Antony1

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This study reports positron scattering cross-sections for pyridine and pyrimidine using an effective potential method. The new approach shows excellent agreement with experimental data, providing valuable insights into molecular interactions.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Scattering Theory

Background:

  • Positron-molecule interactions are crucial for understanding fundamental physics and chemistry.
  • Accurate calculation of scattering cross-sections requires sophisticated theoretical models.
  • Previous studies often simplified the complex molecular structures of targets like pyridine and pyrimidine.

Purpose of the Study:

  • To calculate positron impact scattering cross-sections for pyridine and pyrimidine.
  • To introduce and validate an effective potential method for complex molecular structures in positron scattering.
  • To provide new data for differential cross-sections, particularly for pyridine.

Main Methods:

  • Spherical complex optical potential formalism was employed.
  • Positronium formation, elastic, total, and differential cross-sections were calculated.
  • Complex scattering potential-ionization contribution method was used for ionization cross-sections.
  • An effective potential method was utilized for the first time to account for complex molecular structures.
  • Rotational excitation contributions were included.

Main Results:

  • Calculated positron scattering cross-sections for pyridine and pyrimidine.
  • The effective potential method demonstrated good agreement with experimental data.
  • Inclusion of rotational excitation improved the comparison with measurements.
  • Differential cross-section data for pyridine were reported for the first time.
  • The modified approach yielded encouraging and highly consistent results.

Conclusions:

  • The developed theoretical framework accurately predicts positron scattering cross-sections for pyridine and pyrimidine.
  • The effective potential method is a significant advancement for studying positron interactions with complex molecules.
  • The findings provide valuable benchmark data for future theoretical and experimental investigations.