Kavli Affiliate: Birgitta Whaley | First 5 Authors: Avijit Shee, Zhen Huang, Martin Head-Gordon, K. Birgitta Whaley, | Summary: We have developed a new time propagation method, time-dependent adaptive sampling configuration interaction (TD-ASCI), to describe the dynamics of a strongly correlated system. We employ the short iterative Lanczos (SIL) method as the time-integrator, which provides […]
Continue.. Real-time propagation of adaptive sampling selected configuration interaction wave function