Ground-state atomic ionization energies for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Z</mml:mi><mml:mo>=</mml:mo><mml:mn>2</mml:mn><mml:mn /><mml:mo>–</mml:mo><mml:mn>18</mml:mn></mml:math>and up to 18 electrons

Zheng, Neng Wu; Zhou, Tao; Wang, Tao; Yang, Ru Yi; Sun, Yu; Wang, Feng; Chen, Chao Guang

doi:10.1103/physreva.65.052510

Cited by 19 publications

(16 citation statements)

References 29 publications

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“…The iso-spectrum-level series consists of some levels having the same level symbol in a given iso-electronic series. In this concept, the electron configuration, spectrum terms, and spectrum energy levels are all the same and the sole variable is the nuclear charge Z [9].…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…In this approximation, the ionization potentials of ground states can be studied along an iso-electronic series [9]. All atomic or ionic terms of the iso-electronic series have the same electron configuration.…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…The atomic and ionic energy can be given as a sum of non-relativistic energy and relativistic energy to be [9][10][11][12]:…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…In this method, the effect of the screening of other electrons except for the weakest electron is not exact. Therefore, the Coulomb term of potential in the WBEPM theory is used as the effective nuclear charge Z * defined to be [9][10][11][12]:…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…The calculation of the ionization potentials of atomic or ionic systems have been carried out using R-matrix method [4], multi-configuration Hartree-Fock (MCHF) method [5], relativistic configuration interaction (CI) method [6], relativistic many-body perturbation theory (MBPT) [7], and multi-configuration Dirac-Fock (MCDF) methods [8]. Recently, Zheng et al have introduced a new method called the weakest bound electron potential model theory (WBEPMT) for the calculation of ionization potentials [9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

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Determination of Excited-State Ionization Potentials for Lithium-Like Sequence Using Weakest Bound Electron Potential Model Theory

2007

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In this work, the theoretical calculation of excited-state ionization potentials for 1s 2 2p 2 D 1/2 iso-spectrum series of lithium-like elements were carried out using a weakest bound electron potential model theory for nuclear charges from Z = 3 to Z = 18. The Breit-Pauli approximation was used for relativistic contributions. The obtained values are compared with the experimental results from literature. The overall agreement between data obtained in this work and experimental data from literature can appear to be quite good being generally within 0.1% of experimental values.

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Section: Theoretical Methodsmentioning

confidence: 99%

Section: Theoretical Methodsmentioning

confidence: 99%

“…The atomic and ionic energy can be given as a sum of non-relativistic energy and relativistic energy to be [9][10][11][12]:…”

Section: Theoretical Methodsmentioning

confidence: 99%

Section: Theoretical Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Determination of Excited-State Ionization Potentials for Lithium-Like Sequence Using Weakest Bound Electron Potential Model Theory

2007

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Weakest bound electron potential model theory

Wang

Zhou

et al. 2004

Int J of Quantum Chemistry

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ABSTRACT:Differing from the self-consistent field (SCF) method, in which an Nelectron atom problem is treated as a one-electron problem with the use of a basic assumption of average potential, we develop a unified weakest bound electron potential model (WBEPM) theory. The relativistic form of the theory is given for the first time and is combined with the nonrelativistic form introduced in previous work to arrive at the unified WBEPM theory. The theory has two main ideas. First, from consideration of viewpoints of the dynamic successive ionization and the choice of zero of energy in quantum mechanics, an N-electron atom system can be subdivided into N subsystems only containing a weakest bound electron (WBE) in each of subsystems. For each subsystem by separation of WBE and non-weakest bound electrons (NWBE), WBE is believed to move in an approximate potential field provided by a "core" consisting of NWBEs and the nucleus. Thus, a complicated N-electron problem is reduced to a simple analytical one-electron problem of WBE. Second, the properties of an atom, such as total wave function, total energy, atomic energy levels, and transition between energy levels, can be investigated through the behaviors of a WBE or several WBEs, or up to all WBEs. Several excellent illustrative results show that the theory is capable of attaining very good computational accuracy.

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