نتایج جستجو برای: fock method rhf

تعداد نتایج: 1635690  

2007
Tigran Aivazian

In this paper the Einstein-Vlasov system of self-consistent field equations is used to construct a cosmological model. A solution is found for a homogeneous isotropic space-time with positive curvature (R × S 3 topology). For the Universe consisting of massless particles the equation for R(t) is solved analytically.

2004
Satoru Sugimoto Kiyomi Ikeda Hiroshi Toki

We propose a new mean-field-type framework which can treat the strong correlation induced by the tensor force. To treat the tensor correlation we break the charge and parity symmetries of a single-particle state and restore these symmetries of the total system by the projection method. We perform the charge and parity projections before variation and obtain a Hartree-Fock-like equation, which i...

2013
Volker Koch Dirk Andrae

We present static electric dipole polarizabilities αd(Z,N) from numerical nonrelativistic restricted Hartree-Fock (RHF) finite-field calculations for high-spin open-shell S states (L = 0) of atoms and isoelectronic ions with N ≤ 55 electrons. All these S states result from one or more half-filled shells. For eight isoelectronic sequences, those with N = 3, 7, 11, 15, 23, 29, 33 or 41 electrons ...

2014
Yeong E. Kim

Abstract: Based on Hartree-Fock theory with correlations, approximate solutions of the manybody Schrödinger equation are examined for their use for calculations of nuclear reaction rates for charged Bose nuclei confined in a harmonic trap. It is shown that the nuclear reaction rate calculated with the Hartree-Fock mean field solution makes a significant contribution even in the presence of two-...

2008
Donald H. Galván

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

1999
Dana S. NaU

This paper describes comparisons of the minimax backup rule and the product back-up rule on a wide variety of games, including P-games, G-games, three-hole kalah, Othello, and Ballard’s incremental game. In three-hole kalah, the product rule plays better than a minimax search to the same depth. This is a remarkable result, since it is the first widely known game in which product has been found ...

Journal: :The Journal of chemical physics 2004
Anant D Kulkarni V Ganesh Shridhar R Gadre

A completely automated algorithm for performing many-body interaction energy analysis of clusters (MBAC) [M. J. Elrodt and R. J. Saykally, Chem. Rev. 94, 1975 (1994); S. S. Xantheas, J. Chem. Phys. 104, 8821 (1996)] at restricted Hartree-Fock (RHF)/MA Plesset 2nd order perturbation theory (MP2)/density functional theory (DFT) level of theory is reported. Use of superior guess density matrices (...

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...

1998
H. Huber F. Weber M. K. Weigel

The properties of hot matter are studied in the frame of the relativistic Brueckner-Hartree-Fock theory. The equations are solved self-consistently in the full Dirac space. For the interaction we used the potentials given by Brockmann and Machleidt. The obtained critical temperatures are smaller than in most of the nonrelativistic investigations. We also calculated the thermodynamic properties ...

2002
H. SAGAWA

We have studied the core-polarization effect on the IsOd-she11 single-particle electromagnetic quadrupole transitions due to coupling with the quadrupole giant resonances. The self-consistent Hartree-Fock + RPA method is applied for the calculations of the single-particle wave functions and the response functions of the giant resonances. The particle-vibration-coupling model is used to calculat...

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