Wave Packet Approach to Adiabatic and Nonadiabatic Dynamics of Cold Inelastic Scatterings.

Molecules

Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics, Dalian University of Technology, Dalian 116024, China.

Published: May 2022

AI Article Synopsis

  • The study introduces a new method for analyzing cold inelastic scattering of molecules, addressing challenges with traditional close-coupling techniques.
  • By using the wave packet method, the total wave function is divided into three regions: interaction, asymptotic, and long-range, each employing varying numbers of ro-vibrational basis functions.
  • This innovative approach allows for effective characterization of large molecular systems in cold environments, potentially leading to advancements in the study of cold and ultracold collisions.

Article Abstract

Due to the extremely large de Broglie wavelength of cold molecules, cold inelastic scattering is always characterized by the time-independent close-coupling (TICC) method. However, the TICC method is difficult to apply to collisions of large molecular systems. Here, we present a new strategy for characterizing cold inelastic scattering using wave packet (WP) method. In order to deal with the long de Broglie wavelength of cold molecules, the total wave function is divided into interaction, asymptotic and long-range regions (IALR). The three regions use different numbers of ro-vibrational basis functions, especially the long-range region, which uses only one function corresponding to the initial ro-vibrational state. Thus, a very large grid range can be used to characterize long de Broglie wavelengths in scattering coordinates. Due to its better numerical scaling law, the IALR-WP method has great potential in studying the inelastic scatterings of larger collision systems at cold and ultracold regimes.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101670PMC
http://dx.doi.org/10.3390/molecules27092912DOI Listing

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