The N-representability conditions on the reduced second-order reduced density matrix (2-
RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT) …

We describe a symmetric, two-point, nonlocal weighted density approximation for the
exchange energy of atoms and compare it to conventional density functionals and the …

We construct a model for the one-electron reduced density matrix that is symmetric and
which satisfies the diagonal of the idempotency constraint and then use this model to …

Orbital-free kinetic energy functionals can be constructed by writing the one-electron
reduced density matrix as an approximate functional of the ground-state electron density. In …

We propose a limited-memory quasi-Newton method using the bad Broyden update and
apply it to the nonlinear equations that must be solved to determine the effective Fermi …

La Teorıa del Funcional de la Densidad (DFT por sus siglas en inglés) se ha convertido en
la más popular y útil aproximación computacional para estudiar una amplia variedad de …

A successful symmetric, two-point, nonlocal weighted density approximation for the
exchange energy of atoms and molecules can be constructed using a power mean with …