نتایج جستجو برای: hartree fock method

تعداد نتایج: 1636326  

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 ...

2017
Jerzy Moc Kiet A. Nguyen Mark S. Gordon

Using ab initio unrestricted Hartree−Fock, restricted open-shell Hartree−Fock, and fourth-order perturbation theory methods, 13 minima on the Si2CH4+ potential energy surface have been calculated including ion−molecule complexes, Si−H and C−H insertion products, and other Si2CH4+ isomers. The transition states connecting those isomers have been located and the minimum energy paths have been tra...

1998
Amand Faessler

We investigate nuclear matter properties in the relativistic Brueckner approach. The in-medium on-shell T-matrix is represented covariantly by five Lorentz invariant amplitudes from which we deduce directly the nucleon self-energy. We discuss the ambiguities of this approach and the failure of previously used covariant representations in reproducing the nucleon self-energies on the Hartree-Fock...

2004
Satoru Sugimoto Kiyomi Ikeda Hiroshi Toki

We propose a mean field framework in which the charge and the parity symmetries of a single-particle state are broken. We break these symmetries to incorporate the correlation induced by the tensor force into a nuclear mean field model. We perform the chargeand the parity projections before variation and obtain a Hartree-Fock-like equation (chargeand parity-projected Hartree-Fock equation), whi...

2004
Hideaki Akaike Yasuhiko Tsue Seiya Nishiyama

It is shown that a variational approach with fermionic squeezed states to manyfermion systems such as pairing model is one of useful methods beyond the usual Hartree-Fock-Bogoliubov approximation. A pairing-type quasi-spin squeezed state is constructed and adopted as a trial state in the variational method. By using this state, quantum fluctuations are taken into account. In pairing model, dyna...

2017
M. Ismail

2014 A model interaction is used which is determined by a given nuclear matter saturation curve. This interaction is used in a Hartree-Fock calculation of 40Ca to study the density, the single particle energies and the shell-model potential for various compressibility coefficients derived from the nuclear matter saturation curves. LE JOURNAL DE PHYSIQUE TOME 32, OCTOBRE 1971, Classification Phy...

1998
A. De Pace

Many-body techniques for the calculation of quasielastic nuclear matter response functions in the fully antisymmetrized random phase approximation on a Hartree-Fock basis are discussed in detail. The methods presented here allow for an accurate evaluation of the response functions with little numerical effort. Formulae are given for a generic non-relativistic potential parameter-ized in terms o...

2004
Murat Çetinbaş

We derive an exact single-body decomposition of the time-dependent Schrödinger equation for N pairwise-interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method we calculate the low energy spectrum of Helium. An extension of the method to bosons is outlined. Pacs 03.65.-w, 02.50.-r, 02.70.-c

2001
Nguyen Van Giai R. J. Liotta

The Hartree-Fock-Bogoliubov (HFB) equations in coordinate representation are solved exactly, i.e., with correct asymptotic boundary conditions for the continuous spectrum. The calculations are performed with effective Skyrme interactions. The exact HFB solutions are compared with HFB calculations based on box boundary conditions and with resonant continuum Hartree-Fock-BCS (HF-BCS) results. The...

2014
P. D. Stevenson

A description is presented of how to use the Sky3D time-dependent Hartree-Fock code to calculate giant monopole resonances. This requires modification to the code, and a step-by-step guide of how to make the necessary modification is given. An example of how to analyse the output of the code to obtain quantities of physics interest is included. Together, the modifications and the post-processin...

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