Towards excitation energies and (hyper)p
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S. J. A. van Gisbergen; C. Fonseca Guerra; E. J. Baerends
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Article
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2000
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John Wiley and Sons
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English
⚖ 241 KB
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We document recent improvements in the efficiency of our implementation in the Amsterdam Density Functional program (ADF) of the response equations in time-dependent density functional theory (TDDFT). Applications to quasi one-dimensional polyene chains and to three-dimensional water clusters show t