Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
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DOI：
10.1063/1.4840275
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发表时间：
2013-12-07
影响因子：
4.4
通讯作者：
Coriani, Sonia
中科院分区：
文献类型：
--
作者：
Kauczor, Joanna;Norman, Patrick;Coriani, Sonia
我们提出了一个减少空间算法求解复杂的（阻尼）线性响应方程计算复杂的线性响应函数的层次结构的方法：耦合集群单打，耦合集群单打和迭代近似双打，耦合集群单打和双打。求解器是阻尼耦合集群响应方法在共振频率区域的线性和非线性效应的发展的关键要素。(C)2013 AIP Publishing LLC.
We present a reduced-space algorithm for solving the complex (damped) linear response equations required to compute the complex linear response function for the hierarchy of methods: coupled cluster singles, coupled cluster singles and iterative approximate doubles, and coupled cluster singles and doubles. The solver is the keystone element for the development of damped coupled cluster response methods for linear and nonlinear effects in resonant frequency regions. (C) 2013 AIP Publishing LLC.