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Efficient update of determinants for many-electron wave function overlaps - MaRDI portal

Efficient update of determinants for many-electron wave function overlaps (Q6040987)

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scientific article; zbMATH DE number 7689004
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Efficient update of determinants for many-electron wave function overlaps
scientific article; zbMATH DE number 7689004

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    Efficient update of determinants for many-electron wave function overlaps (English)
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    25 May 2023
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    nonadiabatic dynamics
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    surface hopping
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    determinant
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    Lu factorization
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    high performance computing
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