TY - JOUR
T1 - Relativistic corrections in the ground and excited states of positronic beryllium
AU - Tumakov, Dmitry
AU - Rzhevskii, Pavel
AU - Shomenov, Toreniyaz
AU - Bubin, Sergiy
N1 - Publisher Copyright:
© 2024 American Physical Society.
PY - 2024/4
Y1 - 2024/4
N2 - Positron binding to neutral atoms, which to this day have not been detected experimentally, is thought to be rather weak. According to a few reliable nonrelativistic calculations reported previously, the positron affinity for small atoms, even if it happens to be positive, is predicted to be very small in magnitude, of the order of just few millihartrees (<0.1eV). In this work, we used a highly accurate variational expansion in terms of explicitly correlated Gaussians to investigate how relativistic effects may affect the stability of bound states of positrons with atoms. We performed calculations of positronic beryllium, e+[Be], in its ground singlet S and excited triplet S and P states, all of which are bound. According to our findings, neither the inclusion of scalar relativistic nor spin-dependent corrections alters the predictions regarding the existence of the bound states. When leading-order relativistic effects are taken into account, positron affinities change only by 2.2% or less. Notably, this is so even for the triplet P state of positronic beryllium, where the spin-orbit correction is not at all canceled out when the energy difference with the parent system is computed.
AB - Positron binding to neutral atoms, which to this day have not been detected experimentally, is thought to be rather weak. According to a few reliable nonrelativistic calculations reported previously, the positron affinity for small atoms, even if it happens to be positive, is predicted to be very small in magnitude, of the order of just few millihartrees (<0.1eV). In this work, we used a highly accurate variational expansion in terms of explicitly correlated Gaussians to investigate how relativistic effects may affect the stability of bound states of positrons with atoms. We performed calculations of positronic beryllium, e+[Be], in its ground singlet S and excited triplet S and P states, all of which are bound. According to our findings, neither the inclusion of scalar relativistic nor spin-dependent corrections alters the predictions regarding the existence of the bound states. When leading-order relativistic effects are taken into account, positron affinities change only by 2.2% or less. Notably, this is so even for the triplet P state of positronic beryllium, where the spin-orbit correction is not at all canceled out when the energy difference with the parent system is computed.
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U2 - 10.1103/PhysRevA.109.042826
DO - 10.1103/PhysRevA.109.042826
M3 - Article
AN - SCOPUS:85191330646
SN - 2469-9926
VL - 109
JO - Physical Review A
JF - Physical Review A
IS - 4
M1 - 042826
ER -