Progress in time-dependent density-functional theory.

@article{Casida2012ProgressIT,
  title={Progress in time-dependent density-functional theory.},
  author={Mark E. Casida and Miquel Huix-Rotllant},
  journal={Annual review of physical chemistry},
  year={2012},
  volume={63},
  pages={287-323}
}
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s is based on the idea that the complicated N-electron wave function can be replaced with the mathematically simpler 1-electron charge density in electronic structure calculations of the ground stationary state. As such, ordinary DFT cannot treat time-dependent (TD) problems nor describe excited electronic states. In 1984, Runge and Gross proved a theorem making TD-DFT formally exact… CONTINUE READING
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Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations

  • M Seth, G Mazur, T. Ziegler
  • Theor . Chem . Acc .
  • 2011
Highly Influential
9 Excerpts

Formal foundations of dressed time-dependent density-functional theory for many-electron excitations

  • M Huix-Rotllant, ME Casida
  • 2010
Highly Influential
17 Excerpts

Real-time resolution of the causality paradox of time-dependent density-functional theory

  • G. Vignale
  • Phys. Rev. A
  • 2008
Highly Influential
18 Excerpts

Generalization of the Kohn-Sham equations with constrained electron density (KSCED) formalism and its time-dependent response theory formulation

  • ME Casida, TA Wesołowski
  • Int. J. Quantum Chem
  • 2004
Highly Influential
7 Excerpts

Jacob’s ladder of density functional approximations for the exchangecorrelation energy

  • JP Perdew, K. Schmidt
  • In Density Functional Theory and Its Applications…
  • 2001
Highly Influential
20 Excerpts

Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: analysis within the two-level model with illustration for H2 and LiH

  • ME Casida, F Gutierrez, J Guan, FX Gadea, DR Salahub, JP. Daudey
  • J. Chem. Phys
  • 2000
Highly Influential
16 Excerpts

One-electron density-matrices and energy gradients in the random-phase approximation

  • JV Ortiz
  • J. Chem
  • 1994
Highly Influential
12 Excerpts

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