Efficient pole‐search algorithm for dynamic polarizability: Toward alternative excited‐state calculation for large systems
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DOI: 10.1002/jcc.24507
Abstract: This study presents an efficient algorithm to search for the poles of dynamic polarizability to obtain excited states of large systems with nonlocal excitation nature. The present algorithm adopts a homogeneous search with a constant… read more here.
Keywords: search; search algorithm; dynamic polarizability; pole search ... See more keywords