نتایج جستجو برای: Hartree-Fock method

تعداد نتایج: 1636326  

Journal: :Scholarpedia 2012

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شهید بهشتی - دانشکده علوم 1389

چکیده ندارد.

2017
J. Bartel

We present a semiclassical approach, the partial fi resummation method, to calculate nuclear ground state properties in a selfconsistent way starting from an effective nucleon-nucleon interaction. This method is shown to be easily generalized tu describe excited nuclear systems. Selfconsistent semiclassical densities can be further used as an optimal starting point for the calculation of nuclea...

2017
D. GOGNY P. L. LIONS

We present the Hartree-Fock approximation method for the many-body problems in Quantum Mechanics cor r esponding to the interaction of neutrons and protons We study the vanous farms of Hartree-Fock équations, the questions related to spin-dependence and spin-orbtt forces, symmetries of the nucleus and symmetry breakings and time-dependent Hartree-Fock équations AMS (MOS) Subject Classifications...

Journal: :The Journal of chemical physics 2009
Jia Deng Andrew T B Gilbert Peter M W Gill

We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.

2006
Proceedings Trim

Basic properties of the nuclear tensor mean fields are reviewed, and their role in changing the shell structure and masses of nuclei is analyzed within the spherical Hartree-Fock-Bogolyubov approach.

Journal: :Canadian Journal of Chemistry 1983

1999
A. Molinari

Improvements are performed on a recently proposed statistical theory of the mean field of a many-fermion system. The dependence of the predictions of the theory upon its two basic ingredients, namely the Hartree-Fock energy and the average energy of the two particle–two hole excitations, is explored.

1996
James R. Cheeseman Gary W. Trucks Todd A. Keith Michael J. Frisch

The direct ~recomputation of two-electron integrals! implementation of the gauge-including atomic orbital ~GIAO! and the CSGT ~continuous set of gauge transformations! methods for calculating nuclear magnetic shielding tensors at both the Hartree-Fock and density functional levels of theory are presented. Isotropic C, N, and O magnetic shielding constants for several molecules, including taxol ...

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