Compact exponential product formulas and operator functional derivative (Q4338367)

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scientific article; zbMATH DE number 1014652
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    Compact exponential product formulas and operator functional derivative
    scientific article; zbMATH DE number 1014652

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      Compact exponential product formulas and operator functional derivative (English)
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      28 May 1997
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      compact exponential product formulas
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      operator functional derivative
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      logarithm of exponential product
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      free Lie elements
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      algorithms
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      molecular electronic simulations
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      The author proposes a new scheme for deriving compact expressions of the logarithm of the exponential product and a generalization of the Dynkin-Specht-Wever (DSW) theorem on the free Lie elements. Some applications (perturbational composition scheme, general higher-order decomposition scheme, standard higher-order decomposition scheme and hybrid exponential product formulas) are presented. This new approach will be very useful in algorithms proposed to solve problems of molecular electronic simulations (theoretical physics and chemistry).
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