Pseudopotential method for coupling matrix element calculations
This work derives electronic Hamiltonian matrix elements in diabatic representation using an asymptotic approach. Off-diagonal matrix elements which couple different covalent excited states of a LiH quasi-molecule with an ionic molecular state are calculated. Electronic wave functions of different l...
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| Autores principales: | , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Herzen State Pedagogical University of Russia
2025-10-01
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| Colección: | Physics of Complex Systems |
| Materias: | |
| Acceso en línea: | https://physcomsys.ru/index.php/physcomsys/article/view/231 |
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