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- W4387246570 abstract "Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation of complex spectroscopies that are unreachable using frequency-domain approaches. Due to the high-order polynomial scaling, the required numerical time propagation of the CC residual expressions is a computationally demanding process. This scaling may be reduced by local correlation schemes, which aim to reduce the size of the (virtual) orbital space by truncation according to user-defined parameters. We present the first application of local correlation to real-time CC. As in previous studies of locally correlated frequency-domain CC, traditional local correlation schemes are of limited utility for field-dependent properties; however, a perturbation-aware scheme proves promising. A detailed analysis of the amplitude dynamics suggests that the main challenge is a strong time dependence of the wave function sparsity." @default.
- W4387246570 created "2023-10-03" @default.
- W4387246570 creator A5046036704 @default.
- W4387246570 creator A5056053058 @default.
- W4387246570 creator A5056223476 @default.
- W4387246570 date "2023-10-02" @default.
- W4387246570 modified "2023-10-13" @default.
- W4387246570 title "Reduced Scaling Real-Time Coupled Cluster Theory" @default.
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