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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2405.10032 |
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| _version_ | 1866914798747254784 |
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| author | Ammar, Abdallah Leclerc, Arnaud Ancarani, Lorenzo Ugo |
| author_facet | Ammar, Abdallah Leclerc, Arnaud Ancarani, Lorenzo Ugo |
| contents | We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex Gaussian Type Orbitals, such integrals can be performed analytically. We investigate the reliability of this scheme for low-energy physical parameters. This study serves as a premise in view of potential applications in molecular scattering processes. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_10032 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions Ammar, Abdallah Leclerc, Arnaud Ancarani, Lorenzo Ugo Chemical Physics Quantum Physics We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex Gaussian Type Orbitals, such integrals can be performed analytically. We investigate the reliability of this scheme for low-energy physical parameters. This study serves as a premise in view of potential applications in molecular scattering processes. |
| title | On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions |
| topic | Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2405.10032 |