نتایج جستجو برای: hartree fock hf

تعداد نتایج: 29527  

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-...

1998
H. Huber M. K. Weigel

It is shown that the modern equations of state for neutron star matter based on microscopic calculations of symmetric and asymmetric nuclear matter are compatible with the lower bound on the maximum neutron-star mass for a certain range of hyperon coupling constants, which are constrained by the binding energies of hyperons in symmetric nuclear matter. The hyperons are included by means of the ...

2006
A. BARAN A. STASZCZAK J. DOBACZEWSKI W. NAZAREWICZ

Spontaneous fission barriers, quadrupole inertia tensor, and zero-point quadrupole correlation energy are calculated for 252,256,258 Fm in the framework of the self-consistent Skyrme-Hartree-Fock+BCS theory. Two ways of computing collective inertia are employed: the Gaussian Overlap Approximation to the Generator Coordinate Method and cranking ansatz. The Skyrme results are compared with those ...

2015
Pavan Kumar Valavala PAVAN KUMAR VALAVALA Ranjit Pati Gregory M. Odegard Ravindra Pandey

.......................................................................................................... 5 Chapter 1 – Introduction ............................................................................. 8 1.1 Carbon Nanomaterials ............................................................................................9 1.2 Applications of Carbon Nanotubes ..............................

Journal: :Momento 2023

In this work, the Isoscalar (IS) Giant Dipole Resonance (GDR) and Pygmy (PDR) of 92Mo 100Mo Isotopes were calculated in farmwork self-consistent quasi-particle random phase approximation (QRPA) based on results Hartree-Fock-Bardeen, Cooper Schrieffer (HF-BCS) using 10 Skyrme-type interactions: KDE0v1, eMSL08, SKX, SGOI, v080, SKP, SIV, SIII, SKIII, SGI. The strength distributions isoscalar dipo...

2008
Heinz-Jürgen Flad Reinhold Schneider

Abstract The Hartree-Fock equations are widely accepted as the basic model of electronic structure calculation which serves as a canonical starting point for more sophisticated many-particle methods. We have studied the s∗-compressibility for Galerkin discretizations of the Hartree-Fock equations in wavelet bases. Our focus is on the compression of Galerkin matrices from nuclear Coulomb potenti...

Journal: :The Journal of chemical physics 2017
Robert C R Pennifold Simon J Bennie Thomas F Miller Frederick R Manby

Projection-based embedding provides a simple and numerically robust framework for multiscale wavefunction-in-density-functional-theory (WF-in-DFT) calculations. The approach works well when the approximate DFT is sufficiently accurate to describe the energetics of the low-level subsystem and the coupling between subsystems. It is also necessary that the low-level DFT produces a qualitatively re...

Journal: :Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2018
Andrew W King Adam L Baskerville Hazel Cox

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapid...

Journal: :Physical review. C, Nuclear physics 1996
Geurts Allaart Dickhoff Müther

Spectroscopic factors for one-nucleon knock-out from O are calculated for states with low excitation energy in N with the Bonn-C potential. A method is proposed to deal with both shortand long-range correlations consistently. For this purpose a Green’s function formalism is used and the self-energy in the Dyson equation is approximated as the sum of an energy-dependent Hartree-Fock ~HF! term an...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید