Properties of periodic Hartree-Fock minimizers
نویسندگان
چکیده
We study the periodic Hartree-Fock model used for the description of electrons in a crystal. The existence of a minimizer was previously shown by Catto, Le Bris and Lions (Ann. Inst. H. Poincaré Anal. Non Linéaire 18 (2001), no. 6, 687–760). We prove in this paper that any minimizer is necessarily a projector and that it solves a certain nonlinear equation, similarly to the atomic case. In particular we show that the Fermi level is either empty or totally filled.
منابع مشابه
Minimizers for the Hartree-fock-bogoliubov Theory of Neutron Stars and White Dwarfs
We prove the existence of minimizers for Hartree-Fock-Bogoliubov (HFB) energy functionals with attractive two-body interactions given by Newtonian gravity. This class of HFB functionals serves as model problem for selfgravitating relativistic Fermi systems, which are found in neutron stars and white dwarfs. Furthermore, we derive some fundamental properties of HFB minimizers such as a decay est...
متن کاملCalculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method
In this paper, the Hartree-Fock method has been formulated to investigate some of the ground state properties of quasi-one-dimensional interacting electron gas in the presence of the magnetic field. The bare coulomb interaction between electrons has been assumed. For this system, we have also computed some of its thermodynamic and magnetic properties such as the energy, pressure, incompressibil...
متن کاملStability of the Hartree-Fock model with temperature
This paper is devoted to the Hartree-Fock model with temperature in the euclidean space. For large classes of free energy functionals, minimizers are obtained as long as the total charge of the system does not exceed a threshold which depends on the temperature. The usual Hartree-Fock model is recovered in the zero temperature limit. An orbital stability result for the Cauchy problem is deduced...
متن کاملNMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound
Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...
متن کاملNMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound
Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2008