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Computational complexity of time-dependent density functional theory
J. D. Whitfield, M. -H. Yung, D. G. Tempel +2
Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundat…
The computational complexity of density functional theory
James Daniel Whitfield, Norbert Schuch, Frank Verstraete
Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approxi…
Spin-free quantum computational simulations and symmetry adapted states
James Daniel Whitfield
The ideas of digital simulation of quantum systems using a quantum computer parallel the original ideas of numerical simulation using a classical computer. In order for quantum com…