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physics.chem-ph2005
Bijectivity of the Normalization and Fermi-Coulomb Hole Sum Rules for Approximate Wave Functions
Xiao-Yin Pan, Viraht Sahni, Lou Massa
We prove the bijectivity of the constraints of normalization and of the Fermi-Coulomb hole charge sum rule at each electron position for approximate wave functions. This bijectivit…
physics.atom-ph2005★ 1 cited
The constrained-search--variational method: application to the ground state of Helium atom
Xiao-Yin Pan, Viraht Sahni, Lou Massa
n a recent paper we proposed the expansion of the space of variations in energy calculations by considering the approximate wave function to be a functional of functions $χ: ψ=…