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Spurious modes in Extended RPA theories

机译:扩展RPA理论中的杂散模式

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The necessary conditions that the spurious state associated with the translational motion and its double-phonon state have zero excitation energy in Extended RPA (ERPA) theories which include both one-body and two-body amplitudes are investigated using the small-amplitude limit of the time-dependent density-matrix theory (STDDM). STDDM provides us with a quite general form of ERPA, as compared with other similar theories, in the sense that all components of one-body and two-body amplitudes are taken into account. Two conditions are found necessary to guarantee the above property of the single and double spurious states: The first is that no truncation in the single-particle space should be made. This condition is necessary for the closure relation to be used and is common for the single and double spurious states. The second depends on the mode. For the single spurious state all components of the one-body amplitudes must be included, and for the double spurious state all components of one-body and two-body amplitudes have to be included. It is also shown that the Kohn theorem and the continuity equations for transition densities and currents hold under the same conditions as the spurious states. ERPA theories formulated using the Hartree-Fock ground state have a non-hermiticity problem. A method for formulating ERPA with hermiticity is also proposed using the time-dependent density-matrix formalism.
机译:在扩展的RPA(ERPA)理论中,与平移运动相关的杂散状态及其双声子状态具有零激发能量的必要条件,包括小振幅极限和单体振幅。时间相关的密度矩阵理论(STDDM)。与其他类似的理论相比,STDDM为我们提供了一种非常通用的ERPA形式,因为在这种意义上,一体和两体振幅的所有分量都被考虑在内。发现有两个条件可以保证单杂散状态和双杂散状态的上述属性:第一个条件是不应在单粒子空间中截断。此条件对于使用闭合关系是必需的,并且对于单伪状态和双伪状态是常见的。第二个取决于模式。对于单杂散状态,必须包含一个体振幅的所有分量,而对于双杂散状态,必须包括一个体振幅和两个体振幅的所有分量。还表明,Kohn定理以及跃迁密度和电流的连续性方程在与伪状态相同的条件下成立。使用Hartree-Fock基态制定的ERPA理论存在非遗传问题。还提出了一种使用时间依赖性密度矩阵形式主义的ERP遗传度表示方法。

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