Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method

A. V. Zaitsevskii; L. V. Skripnikov; A. V. Kudrin; A. V. Oleinichenko; E. Eliav; A. V. Stolyarov

doi:10.1134/S0030400X18040215

Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method

A. V. Zaitsevskii, L. V. Skripnikov, A. V. Kudrin, A. V. Oleinichenko, E. Eliav, A. V. Stolyarov

School of Chemistry

Tel Aviv University

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

Abstract

The determination of the matrix elements of single-electron operators for the transitions between electronic states (primarily, the dipole moments of electron transitions) is one of the critical problems in simulating the atomic and molecular spectra. In this study, the efficiency of a simple version of the finite-field method for calculating these values within the Fock-space coupled-cluster theory has been investigated.

Original language	English
Pages (from-to)	451-456
Number of pages	6
Journal	Optics and Spectroscopy (English translation of Optika i Spektroskopiya)
Volume	124
Issue number	4
DOIs	https://doi.org/10.1134/S0030400X18040215
State	Published - 1 Apr 2018

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics

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10.1134/S0030400X18040215

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title = "Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method",

abstract = "The determination of the matrix elements of single-electron operators for the transitions between electronic states (primarily, the dipole moments of electron transitions) is one of the critical problems in simulating the atomic and molecular spectra. In this study, the efficiency of a simple version of the finite-field method for calculating these values within the Fock-space coupled-cluster theory has been investigated.",

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T2 - the Finite-Field Method

AU - Zaitsevskii, A. V.

AU - Skripnikov, L. V.

AU - Kudrin, A. V.

AU - Oleinichenko, A. V.

AU - Eliav, E.

AU - Stolyarov, A. V.

PY - 2018/4/1

Y1 - 2018/4/1

N2 - The determination of the matrix elements of single-electron operators for the transitions between electronic states (primarily, the dipole moments of electron transitions) is one of the critical problems in simulating the atomic and molecular spectra. In this study, the efficiency of a simple version of the finite-field method for calculating these values within the Fock-space coupled-cluster theory has been investigated.

AB - The determination of the matrix elements of single-electron operators for the transitions between electronic states (primarily, the dipole moments of electron transitions) is one of the critical problems in simulating the atomic and molecular spectra. In this study, the efficiency of a simple version of the finite-field method for calculating these values within the Fock-space coupled-cluster theory has been investigated.

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U2 - 10.1134/S0030400X18040215

DO - 10.1134/S0030400X18040215

M3 - مقالة

SN - 0030-400X

VL - 124

SP - 451

EP - 456

JO - Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

JF - Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

IS - 4

ER -

Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method

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