{"title":"Modified Le Sech wavefunction for investigating confined two-electron atomic systems","authors":"Rabeet Singh, Arup Banerjee","doi":"10.1140/epjd/s10053-024-00918-3","DOIUrl":null,"url":null,"abstract":"<p>In this article, we propose an alternate approach to study confined two-electron systems using the modified form of the Le Sech wavefunction. In the present approach, rather than using the cut-off factor in the variational wavefunction, we determine it directly by solving Schrödinger like equation. The results for kinetic energies, electron-nucleus interaction, electron–electron interaction, total energies, densities, ionization energies, and moments of confined <span>\\(\\hbox {H}^-\\)</span> and He atom are compared with the most accurate values found in the literature to show the effectiveness of our method. The present approach applies to a wide range of confinement potentials. We demonstrate it by showing the results for Coulomb, harmonic oscillator, and soft-confinement potentials.</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 10","pages":""},"PeriodicalIF":1.5000,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The European Physical Journal D","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1140/epjd/s10053-024-00918-3","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"OPTICS","Score":null,"Total":0}
引用次数: 0
Abstract
In this article, we propose an alternate approach to study confined two-electron systems using the modified form of the Le Sech wavefunction. In the present approach, rather than using the cut-off factor in the variational wavefunction, we determine it directly by solving Schrödinger like equation. The results for kinetic energies, electron-nucleus interaction, electron–electron interaction, total energies, densities, ionization energies, and moments of confined \(\hbox {H}^-\) and He atom are compared with the most accurate values found in the literature to show the effectiveness of our method. The present approach applies to a wide range of confinement potentials. We demonstrate it by showing the results for Coulomb, harmonic oscillator, and soft-confinement potentials.
在本文中，我们提出了另一种利用勒塞赫波函数的修正形式来研究约束双电子系统的方法。在本方法中，我们不使用变异波函数中的截止因子，而是直接通过求解薛定谔方程来确定截止因子。与文献中发现的最精确值相比，我们得出了约束（\hbox {H}^-\）和 He 原子的动能、电子-核相互作用、电子-电子相互作用、总能、密度、电离能和动量的结果，从而显示了我们方法的有效性。本方法适用于广泛的约束势。我们展示了库仑势、谐振子势和软约束势的结果。
期刊介绍：
The European Physical Journal D (EPJ D) presents new and original research results in:
Atomic Physics;
Molecular Physics and Chemical Physics;
Atomic and Molecular Collisions;
Clusters and Nanostructures;
Plasma Physics;
Laser Cooling and Quantum Gas;
Nonlinear Dynamics;
Optical Physics;
Quantum Optics and Quantum Information;
Ultraintense and Ultrashort Laser Fields.
The range of topics covered in these areas is extensive, from Molecular Interaction and Reactivity to Spectroscopy and Thermodynamics of Clusters, from Atomic Optics to Bose-Einstein Condensation to Femtochemistry.
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