dorsal/arxiv
View SchemaIn search of the electron electric dipole moment: relativistic correlation calculations of the P,T-violation effect in the ground state of HI$^+$
| Authors | T. A. Isaev, N. S. Mosyagin, A. N. Petrov, A. V. Titov |
|---|---|
| Categories | |
| ArXiv ID | physics/0412177 |
| URL | https://arxiv.org/abs/physics/0412177 |
| DOI | 10.1103/PhysRevLett.95.163004 |
Abstract
We report the first results of ab initio relativistic correlation calculation of the effective electric field on the electron, E_eff, in the ground state of the HI$^+$ cation. This value is required for interpretation of the suggested experiment on search for the electron electric dipole moment. The generalized relativistic effective core potential, Fock-space relativistic coupled cluster with single and double cluster amplitudes and spin-orbit direct configuration interaction methods are used, followed by nonvariational one-center restoration of the four-component wavefunction in the iodine core. The calculated value of E_eff by the coupled cluster method is E_eff=0.345\times 10^{24}Hz/e*cm. Configuration interaction study gives E_eff=0.336\times 10^{24}Hz/e*cm (our final value). The structure of chemical bonding and contributions to E_eff in HI$^+$ is clarified and significant deviation of our value from that obtained in Ravaine etal Phys.Rev.Lett., 94, 013001 (2005) is explained.
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"abstract": "We report the first results of ab initio relativistic correlation calculation\nof the effective electric field on the electron, E_eff, in the ground state of\nthe HI$^+$ cation. This value is required for interpretation of the suggested\nexperiment on search for the electron electric dipole moment. The generalized\nrelativistic effective core potential, Fock-space relativistic coupled cluster\nwith single and double cluster amplitudes and spin-orbit direct configuration\ninteraction methods are used, followed by nonvariational one-center restoration\nof the four-component wavefunction in the iodine core. The calculated value of\nE_eff by the coupled cluster method is E_eff=0.345\\times 10^{24}Hz/e*cm.\nConfiguration interaction study gives E_eff=0.336\\times 10^{24}Hz/e*cm (our\nfinal value). The structure of chemical bonding and contributions to E_eff in\nHI$^+$ is clarified and significant deviation of our value from that obtained\nin Ravaine etal Phys.Rev.Lett., 94, 013001 (2005) is explained.",
"arxiv_id": "physics/0412177",
"authors": [
"T. A. Isaev",
"N. S. Mosyagin",
"A. N. Petrov",
"A. V. Titov"
],
"categories": [
"physics.atom-ph",
"physics.chem-ph"
],
"doi": "10.1103/PhysRevLett.95.163004",
"title": "In search of the electron electric dipole moment: relativistic correlation calculations of the P,T-violation effect in the ground state of HI$^+$",
"url": "https://arxiv.org/abs/physics/0412177"
},
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