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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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Barry I Schneider¹

¹Applied and Computational Mathematics Division National Institute of Standards and Technology Gaithersburg, MD 20899-8910, USA.

Journal of Physics. Conference Series

|October 19, 2020

Summary

Computational methods in atomic and molecular physics (AMP) have advanced significantly over 40 years. These developments enable the quantitative treatment of complex many-body problems and reveal unexpected physical phenomena.

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Area of Science:

Atomic and Molecular Physics (AMP)
Computational Physics
Quantum Mechanics

Background:

Significant advancements in quantitative treatment of many-body problems in AMP over the last 40 years.
Progress driven by new numerical methods, practical software implementation, and evolving computing platforms.

Purpose of the Study:

Review computational progress in scattering theory and strong electromagnetic field interactions with atomic/molecular systems.
Highlight interesting and unexpected features revealed by these advances since the 1960s.

Main Methods:

Review of numerical methods and computational algorithms in AMP.
Analysis of software development and high-performance computing evolution.
Examination of progress in scattering theory and strong-field physics.

Main Results:

Demonstration of remarkable progress in the quantitative treatment of complex many-body problems.
Identification of a wide array of interesting and unexpected physical phenomena.
Evolution of computational tools from desktops to massively parallel systems.

Conclusions:

Computational physics has revolutionized the study of atomic and molecular systems.
Advances have enabled deeper understanding of scattering phenomena and strong-field interactions.
The field continues to reveal novel and surprising physical insights.