论文标题
运动耦合群集方法的方程式，用于X射线光谱中的内在损失
Equation of motion coupled-cluster approach for intrinsic losses in x-ray spectra
论文作者
论文摘要
我们提出了运动耦合簇方法的方程式，用于计算和理解核心水平X射线吸收光谱（XAS）中内在的非弹性损失。该方法基于时间域中的过渡幅度的分解，这导致有效的一体光谱和核心孔光谱函数的卷积。光谱函数以重新激发和卫星为角度来表征这些损失，并使用包括非线性校正的Core-Hole Green功能的累积表示来计算。一体频谱还包括正交性校正，可增强边缘的XAS。
We present an equation of motion coupled cluster approach for calculating and understanding intrinsic inelastic losses in core level x-ray absorption spectra (XAS). The method is based on a factorization of the transition amplitude in the time-domain, which leads to a convolution of an effective one-body spectrum and the core-hole spectral function. The spectral function characterizes these losses in terms of shake-up excitations and satellites, and is calculated using a cumulant representation of the core-hole Green's function that includes non-linear corrections. The one-body spectrum also includes orthogonality corrections that enhance the XAS at the edge.
