A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.

@article{Miranda2011AMT,
  title={A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.},
  author={Rafael Padovezi Miranda and Andrew J Fisher and L Stella and Andrew P. Horsfield},
  journal={The Journal of chemical physics},
  year={2011},
  volume={134 24},
  pages={
          244101
        }
}
The solution of the time-dependent Schrödinger equation for systems of interacting electrons is generally a prohibitive task, for which approximate methods are necessary. Popular approaches, such as the time-dependent Hartree-Fock (TDHF) approximation and time-dependent density functional theory (TDDFT), are essentially single-configurational schemes. TDHF is by construction incapable of fully accounting for the excited character of the electronic states involved in many physical processes of… CONTINUE READING

References

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A multiconfigu - rational time - dependent Hartree - Fock method for excited electronic states . III . Charge transfer between conjugated polymer chains , ” ( unpublished )

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