نتایج جستجو برای: hartree

تعداد نتایج: 5668  

2008
Changxing Miao Guixiang Xu Lifeng Zhao

For the defocusing, energy subcritical case, J. Ginibre and G. Velo [8] proved the global well-posedness and scattering results in the energy space. Later, K. Nakanishi [25] made use of a new Morawetz estimate to obtain the similar results for the more general functions V (x). Recently, the authors proved the global wellposedness and scattering for the defocusing, energy critical Hartree equati...

2016
Philip Goddard Paul Stevenson Arnau Rios

Methods: Following upon the work presented in Ref. [1], quadrupole-constrained Hartree-Fock calculations are used to create a potential energy surface. An isomeric state and a state beyond the second barrier peak are excited by means of instantaneous as well as temporally extended gauge boosts with quadrupole shapes. The subsequent deexcitation is studied in a time-dependent Hartree-Fock simula...

Journal: :Journal of Physics G: Nuclear and Particle Physics 2010

2008
A. Delfino

The structure of infinite nuclear matter is studied with two of the Zimanyi Moszkowski (ZM) models in the framework of a relativistic approximation which takes into account Hartree terms and beyond and is compared with the results which come out of the relativistic Hartree Fock approach in the linear Walecka model. The simple treatment applied to these models can be used in substitution to the ...

Journal: :The Journal of chemical physics 2005
Juan I Melo Martín C Ruiz de Azúa Juan E Peralta Gustavo E Scuseria

We have employed the Douglas-Kroll-Hess approximation to derive the perturbative Hamiltonians involved in the calculation of NMR spin-spin couplings in molecules containing heavy elements. We have applied this two-component quasirelativistic approach using finite perturbation theory in combination with a generalized Kohn-Sham code that includes the spin-orbit interaction self-consistently and w...

2013

The quantum Monte Carlo (QMC), CASINO code was run to calculate the ground state energy for the hydrogen molecule. The variational Monte Carlo (VMC) technique was used, employing the unrestricted Hartree-Fock (UHF) method, instead of the restricted Hartree-Fock (RHF) method. By altering the VMC steps in the input parameters of the CASINO code, the best ground state energy for the hydrogen molec...

1996
Joanne M. Wittbrodt Bernhard Schlegel

Spin unrestricted calculations using density functional theory can yield wave functions with spin contamination. In conventional post Hartree–Fock calculations ~such as Mo”ller–Plesset perturbation theory!, spin projection can ameliorate some of the problems caused by spin contamination. However, spin projection can seriously degrade the quality of potential energy surfaces calculated by densit...

2008
J. Dobaczewski

The volume and surface effects in the nuclear local energy density and the volume and surface components of the pairing interaction are discussed in the context of the mean-field, Hartree-FockBogoliubov description of atomic nuclei. Predictions of properties of exotic nuclei close to the particle drip lines are presented. PACS. 21.60.Jz Hartree-Fock and random-phase approximations – 21.10.Dr Bi...

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