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We have calculated thermodynamic and spectral properties of Ce metal over awide range of volume and temperature, including the effects of 4f electroncorrelations, by the merger of the local density approximation and dynamicalmean field theory (DMFT). The DMFT equations are solved using the quantum MonteCarlo technique supplemented by the more approximate Hubbard I and Hartree Fockmethods. At large volume we find Hubbard split spectra, the associated localmoment, and an entropy consistent with degeneracy in the moment direction. Oncompression through the volume range of the observed gamma-alpha transition, anAbrikosov-Suhl resonance begins to grow rapidly in the 4f spectra at the Fermilevel, a corresponding peak develops in the specific heat, and the entropydrops rapidly in the presence of a persistent, although somewhat reduced localmoment. Our parameter-free spectra agree well with experiment at the alpha- andgamma-Ce volumes, and a region of negative curvature in the correlation energyleads to a shallowness in the low-temperature total energy over this volumerange which is consistent with the gamma-alpha transition. As measured by thedouble occupancy, we find a noticeable decrease in correlation on compressionacross the transition; however, even at the smallest volumes considered, Ceremains strongly correlated with residual Hubbard bands to either side of adominant Fermi-level structure. These characteristics are discussed in light ofcurrent theories for the volume collapse transition in Ce.Comment: 19 pages including 14 eps figure

Thermodynamic and spectral properties of compressed Ce calculated using a combined local-density approximation and dynamical mean-field theory