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We have developed a first-principles local ansatz wavefunction approach withmomentum-dependent variational parameters on the basis of the tight-bindingLDA+U Hamiltonian. The theory goes beyond the first-principles Gutzwillerapproach and quantitatively describes correlated electron systems. Using thetheory, we find that the momentum distribution function (MDF) bands ofparamagnetic bcc Fe along high-symmetry lines show a large deviation from theFermi-Dirac function for the $d$ electrons with $e_{g}$ symmetry and yield themomentum-dependent mass enhancement factors. The calculated average massenhancement $m^{\ast}/m = 1.65$ is consistent with low-temperature specificheat data as well as recent angle-resolved photoemission spectroscopy (ARPES)data.

First-Principles Momentum-Dependent Local Ansatz Wavefunction and Momentum Distribution Function Bands of Iron