Exact solutions and quantum defect theory for van der Waals potentials in ultracold molecular systems.

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Title: Exact solutions and quantum defect theory for van der Waals potentials in ultracold molecular systems.
Authors: Jie, Jianwen1 (AUTHOR), Chen, Shi1 (AUTHOR), Chen, Yue2,3 (AUTHOR) yuechenphy@163.com, Qi, Ran4,5 (AUTHOR) qiran@ruc.edu.cn
Source: Journal of Physics B: Atomic, Molecular & Optical Physics. 9/14/2025, Vol. 58 Issue 17, p1-12. 12p.
Subjects: Ultracold molecules, Quantum defect theory, Schrödinger equation, Intermolecular forces, Resonance, Scattering (Mathematics), Schroedinger, Erwin, 1887-1961, Two-body problem (Physics), Bound states
Abstract: In this paper, we have provided exact two-body solutions to the 2D and 3D Schrödinger equations with isotropic van der Waals potentials of the form ± 1 / r 6 . Based on these solutions, we developed an analytical quantum defect theory (QDT) applicable to both quasi-2D and 3D geometries, and applied it to study the scattering properties and bound-state spectra of ultracold polar molecules confined in these geometries. Interestingly, we find that in the attractive (repulsive) van der Waals potential case, the short-range interaction can be effectively modeled by an infinite square barrier (finite square well), which leads to narrow and dense (broad and sparse) resonance structures in the quantum defect parameter. In the quasi-2D attractive case, shape resonances can appear in an ordered fashion across different partial waves, characterized by sharp phase jumps as the scattering energy is varied. Furthermore, the low-energy analytical expansions derived from QDT show excellent agreement with the exact numerical results, validating the accuracy and usefulness of our analytical approach in describing two-body physics governed by long-range van der Waals interactions. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Physics B: Atomic, Molecular & Optical Physics is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Exact solutions and quantum defect theory for van der Waals potentials in ultracold molecular systems.
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  Data: <searchLink fieldCode="AR" term="%22Jie%2C+Jianwen%22">Jie, Jianwen</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Shi%22">Chen, Shi</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Yue%22">Chen, Yue</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<i> yuechenphy@163.com</i><br /><searchLink fieldCode="AR" term="%22Qi%2C+Ran%22">Qi, Ran</searchLink><relatesTo>4,5</relatesTo> (AUTHOR)<i> qiran@ruc.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Physics+B%3A+Atomic%2C+Molecular+%26+Optical+Physics%22">Journal of Physics B: Atomic, Molecular & Optical Physics</searchLink>. 9/14/2025, Vol. 58 Issue 17, p1-12. 12p.
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  Data: <searchLink fieldCode="DE" term="%22Ultracold+molecules%22">Ultracold molecules</searchLink><br /><searchLink fieldCode="DE" term="%22Quantum+defect+theory%22">Quantum defect theory</searchLink><br /><searchLink fieldCode="DE" term="%22Schrödinger+equation%22">Schrödinger equation</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+forces%22">Intermolecular forces</searchLink><br /><searchLink fieldCode="DE" term="%22Resonance%22">Resonance</searchLink><br /><searchLink fieldCode="DE" term="%22Scattering+%28Mathematics%29%22">Scattering (Mathematics)</searchLink><br /><searchLink fieldCode="DE" term="%22Schroedinger%2C+Erwin%2C+1887-1961%22">Schroedinger, Erwin, 1887-1961</searchLink><br /><searchLink fieldCode="DE" term="%22Two-body+problem+%28Physics%29%22">Two-body problem (Physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Bound+states%22">Bound states</searchLink>
– Name: Abstract
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  Data: In this paper, we have provided exact two-body solutions to the 2D and 3D Schrödinger equations with isotropic van der Waals potentials of the form ± 1 / r 6 . Based on these solutions, we developed an analytical quantum defect theory (QDT) applicable to both quasi-2D and 3D geometries, and applied it to study the scattering properties and bound-state spectra of ultracold polar molecules confined in these geometries. Interestingly, we find that in the attractive (repulsive) van der Waals potential case, the short-range interaction can be effectively modeled by an infinite square barrier (finite square well), which leads to narrow and dense (broad and sparse) resonance structures in the quantum defect parameter. In the quasi-2D attractive case, shape resonances can appear in an ordered fashion across different partial waves, characterized by sharp phase jumps as the scattering energy is varied. Furthermore, the low-energy analytical expansions derived from QDT show excellent agreement with the exact numerical results, validating the accuracy and usefulness of our analytical approach in describing two-body physics governed by long-range van der Waals interactions. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Physics B: Atomic, Molecular & Optical Physics is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1088/1361-6455/ae021e
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 12
        StartPage: 1
    Subjects:
      – SubjectFull: Ultracold molecules
        Type: general
      – SubjectFull: Quantum defect theory
        Type: general
      – SubjectFull: Schrödinger equation
        Type: general
      – SubjectFull: Intermolecular forces
        Type: general
      – SubjectFull: Resonance
        Type: general
      – SubjectFull: Scattering (Mathematics)
        Type: general
      – SubjectFull: Schroedinger, Erwin, 1887-1961
        Type: general
      – SubjectFull: Two-body problem (Physics)
        Type: general
      – SubjectFull: Bound states
        Type: general
    Titles:
      – TitleFull: Exact solutions and quantum defect theory for van der Waals potentials in ultracold molecular systems.
        Type: main
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            NameFull: Jie, Jianwen
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            NameFull: Chen, Shi
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            NameFull: Chen, Yue
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            NameFull: Qi, Ran
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            – D: 14
              M: 09
              Text: 9/14/2025
              Type: published
              Y: 2025
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              Value: 58
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              Value: 17
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            – TitleFull: Journal of Physics B: Atomic, Molecular & Optical Physics
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