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 for this work

Research output: Contribution to journal › Article › Academic › peer-review

46 Citations (Scopus)

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.

Original language	English
Pages (from-to)	12549-12557
Number of pages	9
Journal	The Journal of Physical Chemistry A
Volume	113
Issue number	45
DOIs	https://doi.org/10.1021/jp904020s
Publication status	Published - 12-Nov-2009

Keywords

BASIS-SET CALCULATIONS
PARITY VIOLATION
WEAK INTERACTIONS
CP VIOLATION
ATOMS
SEARCH
LIMIT
CHIRALITY
MOLECULE
PHYSICS

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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",

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year = "2009",

month = nov,

day = "12",

doi = "10.1021/jp904020s",

language = "English",

volume = "113",

pages = "12549--12557",

journal = "The Journal of Physical Chemistry A",

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publisher = "AMER CHEMICAL SOC",

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Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry. / Mukherjee, Debashis; Sahoo, B. K.; Nataraj, H. S. et al.
In: The Journal of Physical Chemistry A, Vol. 113, No. 45, 12.11.2009, p. 12549-12557.

Research output: Contribution to journal › Article › Academic › peer-review

TY - JOUR

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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Keywords

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