Adiabatic decoupling and time-dependent Born-Oppenheimer theory (Q5956067)

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scientific article; zbMATH DE number 1708429
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Adiabatic decoupling and time-dependent Born-Oppenheimer theory
scientific article; zbMATH DE number 1708429

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    Adiabatic decoupling and time-dependent Born-Oppenheimer theory (English)
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    19 August 2003
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    In the recent paper [see ibid. 223, 583-626 (2001; Zbl 1161.81376)] \textit{G. Hagedorn} and \textit{A. Joye} constructed an exponentially accurate time-dependent Born-Oppenheimer approximation for molecular quantum mechanics. In the Hagedorn-Joye's approach adiabatic and semiclassical limits are being taken simultaneously, and they are coupled. The paper under review contains careful separation between the adiabatic decoupling of a given group of energy bands from their orthogonal subspace and the semiclassics within the energy bands. Band crossings are allowed. The adiabatic decoupling leads to an effective Schrödinger equation for the nuclei, including contributions from the Berry connection.
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    energy bands
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    band crossings
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    effective Schrödinger equation
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    Berry connection
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