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• W3100984817 startingPage "065019" @default.
• W3100984817 abstract "The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are employed permitting one to obtain satisfactory results with rather simple native code. As a test case, $^2Pi_u$ and $^2Pi_g$ states of H$_2^+$ ions under spherical confinement are considered. The results are interpreted using the correlation of H$_2^+$ states to atomic orbitals of H atoms lying on the confining surface and perturbation calculations. The method is straightforwardly applied to cavities of any shape and different hydrogen plasma species (at least one-electron ones, including H) for future studies with real crystal symmetries." @default.
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• W3100984817 date "2015-11-18" @default.
• W3100984817 modified "2023-10-14" @default.
• W3100984817 title "Quantum states of confined hydrogen plasma species: Monte Carlo calculations" @default.
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• W3100984817 doi "https://doi.org/10.1088/0963-0252/24/6/065019" @default.
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