Bulletin of the American Physical Society
75th Annual Gaseous Electronics Conference
Volume 67, Number 9
Monday–Friday, October 3–7, 2022;
Sendai International Center, Sendai, Japan
The session times in this program are intended for Japan Standard Time zone in Tokyo, Japan (GMT+9)
Session GR2: Atomic and Molecular Physics
10:00 AM–12:00 PM,
Thursday, October 6, 2022
Sendai International Center
Room: Shirakashi 2
Chair: Alisher Kadyrov, Curtin University, Australia
Abstract: GR2.00002 : Positron binding in molecules
10:30 AM–11:00 AM
Presenter:
Masanori Tachikawa
(Yokohama City University)
Author:
Masanori Tachikawa
(Yokohama City University)
In this study, we will show the effect of molecular vibrations on PA values, based on ab initio multi-component quantum Monte Carlo (QMC) [2] and molecular orbital (MC_MO) [3] methods for the electronic and positronic wave functions simultaneously. We have applied these methods to some organic molecules. We confirmed that PA variations arise from the change in both permanent dipole moment and dipole-polarizability. Also, we will show the positron interaction with unstable homonuclear anion dimer (X−)2 to form the positronic bound state of [X−; e+; X−] (X = H and Li). For [H−; e+; H−] system, we confirmed that the bound state is formed by the positron intermediate structure, called the “positronic covalent bonding” [4]. Meanwhile, for [Li−; e+; Li−], we obtained that the bound state should have a different positronic bound structure at the short internuclear distance. We resolved these different stabilities with “positronium (complex between e+ and e−) binding abilities” of systems.
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