Equilibrium properties of delta-Pu: LDA+U calculations (LDA equivalent to local density approximation)

Equilibrium properties for the delta-phase of Pu have been calculated. Taki ng into account strong electron correlations in the 5f shell, we show how t he equilibrium volume and the bulk modulus are improved in comparison to pr evious results using the local density approximation (LDA) or the generaliz ed gradient approximation (GGA). In addition, an augmentation of the orbita l moment is observed following Hund's rules, reducing the total magnetic mo ment. The stability of the delta-phase is explored and for the first time a positive value for the tetragonal shear constant is found.