Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory
نویسندگان
چکیده
منابع مشابه
Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory
We present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product ...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2017
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2017.07.017