On factorization of molecular wavefunctions

@article{Jecko2015OnFO,
  title={On factorization of molecular wavefunctions},
  author={Thierry Jecko and Brian T Sutcliffe and R Guy Woolley},
  journal={Journal of Physics A: Mathematical and Theoretical},
  year={2015},
  volume={48}
}
Recently there has been a renewed interest in the chemical physics literature of factorization of the position representation eigenfunctions {Φ} of the molecular Schrödinger equation as originally proposed by Hunter in the 1970s. The idea is to represent Φ in the form φχ where χ is purely a function of the nuclear coordinates, while φ must depend on both electron and nuclear position variables in the problem. This is a generalization of the approximate factorization originally proposed by Born… 
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Corrigendum: On factorization of molecular wavefunctions (2015 J. Phys. A.: Math. Theor. 48 445201)

Recently there has been a renewed interest in the chemical physics literature of factorization of the position representation eigenfunctions { Φ } of the molecular Schrödinger equation as originally…

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An exact factorization perspective on quantum interferences in nonadiabatic dynamics.

This work analyzes how nonadiabatic quantum interferences translate in the context of the exact factorization of the molecular wavefunction, and focuses on the shape of the time-dependent potential energy surface-the exact surface on which the nuclear dynamics takes place.

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AbstractProperties of the non-Born–Oppenheimer two-matrix are examined for four-particle systems of the Coulomb–Hooke and Moshinsky types. We obtain for both these models explicit closed-form…

Treating nuclei in molecules with quantum mechanical respect

An examination is made of how nuclear motion ought to be considered in solutions to the eigenvalue problem for the full Coulomb Hamiltonian and the role played by the usual clamped-nuclei electronic…

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