โ Scribed by G Gutierrez; A Plastino
No coin nor oath required. For personal study only.
A systematic procedure is proposed in order to look for non-plane-wave solutions to the Hartree-Fock equations in the thermodynamic limit. The corresponding Hartree-Fock states are seen to arise as the self-consistent eigenvectors of a special matrix, as in Roothaan's method. The attractive delta problem is tackled as an example. The corresponding solution fulfills the monotonicity requirement for the energy as a function of the density, which no other known solution to the problem verifies, and coincides, in the zero-density limit, with the lower bound of Lieb and de Llano. * Fellow of the CICBA, Argentina.
๐ SIMILAR VOLUMES
Well known results of the strong coupling theory of the polaron are derived by simple variational methods (The Hartree-Fock and the Generator Coordinate Methods) based on coherent-state-wave-functions describing the electron surrounded by a phonon cloud.
In this article, we present a study of the localization and properties of the molecular orbitals (MOs) of polyatomic systems by using a comprehensive version of the G1 model. In this version, the wave function is written as a DODS product of univocally determined spin orbitals (MOs), "projected" on