نتایج جستجو برای: fock self
تعداد نتایج: 533152 فیلتر نتایج به سال:
Slater determinants built from the single-particle wave functions of the analytically solvable Ginocchio potential are used to approximate the self-consistent Hartree-Fock solutions for the ground states of nuclei. The results indicate that the Ginocchio potential provides a good parametrization of the nuclear mean field for a wide range of nuclei, including those at the limit of particle stabi...
The corrected Hohenberg-Kohn-Sham and corrected Harris total energy functionals recently proposed [B. Zhou and Y. A. Wang, J. Chem. Phys. 128, 084101 (2008)] have been generalized to the Hartree-Fock method. We have tested the functionals on a few molecular systems and found them to be very useful in accelerating the convergence of the total energy during a self-consistent field process.
abstract due to the growing importance and influence of the self of the teacher in the field of educational and cognitive psychology, the current study intended to investigate the relationship between three teacher qualities and characteristics, i.e. teacher self efficacy, self regulation, and success as perceived by their learners. the study aimed at finding whether teacher self efficacy an...
The Hartree-Fock-Popov theory of interacting Bose particles is developed, for modeling exciton-polaritons in semiconductor microcavities undergoing Bose-Einstein condensation. A self-consistent treatment of the linear exciton-photon coupling and of the exciton nonlinearity provides a thermal equilibrium description of the collective excitation spectrum, of the polariton energy shifts and of the...
We establish a useful identity for intertwining a creation or annihilation operator with the heat kernel of a self-interacting bosonic field theory. I Background Consider creation operators a(f) and annihilation operators a(h), both linear in their respective test functions f, h ∈ L(R, dx), acting on the Fock Hilbert space H, and satisfying the canonical commutation relations [a(h), a(f)] = 〈
The time-dependent Hartree-Fock system is considered in the presence of external magnetic and electric elds, and with a self-consistent potential including anisotropies. A suitable ansatz reduces a quasiperiodic time-dependent problem to an eigenvalue problem, which is then solved by minimization of an energy functional.
We performed all-electron ab initio self-consistent field Hartree-Fock linear combination of atomic orbital, in which electronic correlation using density functional were included to perform electronic calculations in MgB2 new superconductor. Superconductivity in this compound was correlated with existence of px,y band holes at Γ point. Typeset using REVTEX
The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is method choice to study weakly bound nuclei whose properties are affected by quasiparticle continuum space. To describe such systems, we developed a three-dimensional Skyrme-Hartree-Fock-Bogoliubov solver HFBFFT based on existing, highly optimized and parallelized Skyrme-Hartree-Fock code Sky3D. does not impose any self...
The increasing rate at which improvements in processing capacity outstrip improvements in input/output performance of large computers has led to recent attempts to bypass generation of a disk-based integral file. The "direct" SCF method of Almlof and co-workers represents a very successful implementation of this approach. -The present work is concerned with the extension of this general approac...
The three-dimensional cranking model is used to investigate the microscopic aspects of the rotation of nuclei with the tetrahedral symmetry. Two classes of rotation axes are studied corresponding to two different discrete symmetries of the rotating hamiltonian. Self-consistent Hartree-Fock-Bogoliubov calculations show that the tetrahedral minimum remains remarkably stable until the first single...
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