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Calculating response functions in time domain with nonorthonormal basis sets
1Division of Computational Science, RIKEN (The Institute of Physical and Chemical Research), 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
Abstract:
We extend the recently proposed order-N algorithms for calculating linear- and nonlinear-response functions in time domain to the systems described by nonorthonormal basis sets.