Theory of variational calculation with a scaling correct moment functional to solve the electronic schrödinger equation directly for ground state one-electron density and electronic energy

@inproceedings{Kristyn2013TheoryOV,
  title={Theory of variational calculation with a scaling correct moment functional to solve the electronic schr{\"o}dinger equation directly for ground state one-electron density and electronic energy},
  author={S{\'a}ndor Kristy{\'a}n},
  year={2013}
}
The reduction of the electronic Schrodinger equation or its calculating algorithm from 4N-dimensions to a nonlinear, approximate density functional of a three spatial dimension one-electron density for an N electron system which is tractable in practice, is a long-desired goal in electronic structure calculation. In a seminal work, Parr et al. (Phys. Rev. A 1997, 55, 1792) suggested a well behaving density functional in power series with respect to density scaling within the orbital-free… CONTINUE READING
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