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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| English | Efficient update of determinants for many-electron wave function overlaps |
scientific article; zbMATH DE number 7689004 |
Statements
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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0.6927496790885925
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0.6749535202980042
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0.6702923774719238
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0.6592161655426025
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0.6570088267326355
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