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physics.chem-ph2011★ 16 cited
Wavelet-Based Linear-Response Time-Dependent Density-Functional Theory
Bhaarathi Natarajan, Luigi Genovese, Mark E. Casida +4
Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BigDFT and results are co…
physics.chem-ph2011★ 970 cited
Progress in Time-Dependent Density-Functional Theory
M. E. Casida, M. Huix-Rotllant
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction…