Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

Debashis Mukherjee; B. K. Sahoo; H. S. Nataraj; B. P. Das

doi:10.1021/jp904020s

Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

Debashis Mukherjee^*, B. K. Sahoo, H. S. Nataraj, B. P. Das

^*Corresponding author voor dit werk

Onderzoeksoutput: Article › Academic › peer review

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A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and a weak parity and time reversal violating interaction to the first-order of perturbation has been employed to obtain the EDM enhancement factor for the ground state of the Fr atom due to the intrinsic EDM of the electron. The trends of different correlation effects and the leading contributions from different physical states are discussed. Our results in combination with that of the Fr EDM experiment that is currently in progress possess the potential to probe the validity of the standard model (SM) of elementary particle physics.

Originele taal-2	English
Pagina's (van-tot)	12549-12557
Aantal pagina's	9
Tijdschrift	The Journal of Physical Chemistry A
Volume	113
Nummer van het tijdschrift	45
DOI's	https://doi.org/10.1021/jp904020s
Status	Published - 12-nov.-2009

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Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole
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title = "Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry",

abstract = "A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and a weak parity and time reversal violating interaction to the first-order of perturbation has been employed to obtain the EDM enhancement factor for the ground state of the Fr atom due to the intrinsic EDM of the electron. The trends of different correlation effects and the leading contributions from different physical states are discussed. Our results in combination with that of the Fr EDM experiment that is currently in progress possess the potential to probe the validity of the standard model (SM) of elementary particle physics.",

keywords = "BASIS-SET CALCULATIONS, PARITY VIOLATION, WEAK INTERACTIONS, CP VIOLATION, ATOMS, SEARCH, LIMIT, CHIRALITY, MOLECULE, PHYSICS",

author = "Debashis Mukherjee and Sahoo, {B. K.} and Nataraj, {H. S.} and Das, {B. P.}",

year = "2009",

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doi = "10.1021/jp904020s",

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T1 - Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

AU - Mukherjee, Debashis

AU - Sahoo, B. K.

AU - Nataraj, H. S.

AU - Das, B. P.

PY - 2009/11/12

Y1 - 2009/11/12

N2 - A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and a weak parity and time reversal violating interaction to the first-order of perturbation has been employed to obtain the EDM enhancement factor for the ground state of the Fr atom due to the intrinsic EDM of the electron. The trends of different correlation effects and the leading contributions from different physical states are discussed. Our results in combination with that of the Fr EDM experiment that is currently in progress possess the potential to probe the validity of the standard model (SM) of elementary particle physics.

AB - A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and a weak parity and time reversal violating interaction to the first-order of perturbation has been employed to obtain the EDM enhancement factor for the ground state of the Fr atom due to the intrinsic EDM of the electron. The trends of different correlation effects and the leading contributions from different physical states are discussed. Our results in combination with that of the Fr EDM experiment that is currently in progress possess the potential to probe the validity of the standard model (SM) of elementary particle physics.

KW - BASIS-SET CALCULATIONS

KW - PARITY VIOLATION

KW - WEAK INTERACTIONS

KW - CP VIOLATION

KW - ATOMS

KW - SEARCH

KW - LIMIT

KW - CHIRALITY

KW - MOLECULE

KW - PHYSICS

U2 - 10.1021/jp904020s

DO - 10.1021/jp904020s

M3 - Article

SN - 1089-5639

VL - 113

SP - 12549

EP - 12557

JO - The Journal of Physical Chemistry A

JF - The Journal of Physical Chemistry A

IS - 45

ER -

Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

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