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- W2007626470 abstract "The quantum state of the hydrogen atom that is trapped at the most stable octahedral interstitial site in the ${text{LaNi}}_{5}$ crystal is determined. A three-dimensional potential-energy surface for the hydrogen atom around the $3f$ site is obtained by applying first-principles electronic-structure calculations. The time-independent Schrodinger equation for the hydrogen atom under the potential obtained is solved. The hydrogen wave function distributes over the neighboring sites, $6itext{ensuremath{-}}3ftext{ensuremath{-}}6i$, that have been proposed by various workers so far. The energy spectra of the hydrogen atom well explain those of inelastic neutron scattering." @default.
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- W2007626470 date "2010-05-20" @default.
- W2007626470 modified "2023-10-16" @default.
- W2007626470 title "Quantum state of hydrogen in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>LaNi</mml:mtext></mml:mrow><mml:mn>5</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W2007626470 doi "https://doi.org/10.1103/physrevb.81.184302" @default.
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