EQUIVALENCE BETWEEN DYNAMIC AVERAGING METHODS OF THE SCHRODINGER-EQUATION - AVERAGE HAMILTONIAN, SECULAR AVERAGING, AND VANVLECK TRANSFORMATION

EQUIVALENCE BETWEEN DYNAMIC AVERAGING METHODS OF THE SCHRODINGER-EQUATION - AVERAGE HAMILTONIAN, SECULAR AVERAGING, AND VANVLECK TRANSFORMATION
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DOI:
10.1016/0009-2614(92)80136-y
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发表时间:
1992-11-06
影响因子:
2.8
通讯作者:
LLOR, A
LLOR, A
中科院分区:
化学4区
文献类型:
--
作者:
LLOR, A

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To solve the Schrodinger equation with a time-dependent Hamiltonian, two main perturbation-expansion schemes are available: secular averaging theory (SAT) and average Hamiltonian theory (AHT). Due to the lack of an explicit relationship between SAT and AHT, some discrepancies between the results yielded by these theories have been found, especially in NMR applications. A general equivalence scheme between these two methods is here given in operator form, using a new formulation of SAT in terms of a static diagonalization expansion. The two approaches are thus reconciled and the relationship with static techniques should eventually provide new and simpler convergence criteria for AHT.