نتایج جستجو برای: hartree

تعداد نتایج: 5668  

1998
Henning Heiselberg

The kaon energy in a nuclear medium and its dependence on kaonnucleon and nucleon-nucleon correlations is discussed. The transition from the Lenz potential at low densities to the Hartree potential at high densities can be calculated analytically by making a Wigner-Seitz cell approximation and employing a square well potential. As the Hartree potential is less attractive than the Lenz one, kaon...

2001
I. Vidaña

We perform continuous-choice Brueckner-Hartree-Fock calculations of hypernuclear matter, using the recent Nijmegen potentials for hyperon-nucleon and hyperon-hyperon interactions. Single-particle observables of the various hyperons in bulk matter, as well as properties of singleand double-lambda hypernuclei, employing an extended Skyrme-Hartree-Fock scheme, are presented. We find that the poten...

Journal: :journal of physical & theoretical chemistry 2007
s. reihani z. azizi m. khaleghian h. passdar l. pishkar

the interaction of dppa which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of dppa .in this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. thetheoretical nmr shielding tensor of some imported atoms were also reported.

Journal: :Advances in Nonlinear Analysis 2019

Journal: :European Physical Journal-special Topics 2021

Quantum computational chemistry is a potential application of quantum computers that expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. can be compared conventional devices. This review comprehensively investigates applications and overview chemistry, including Hartree-Fock method for information scientists. algorithms, phase estimat...

2000
Rolf Brockmann

The Dirac-Brueckner approach to the nuclear many-body problem is described. A family of relativistic mesonexchange potentials is used which apply the pseudovector coupling for the interaction of pseudoscalar mesons ( , ) with nucleons. These potentials describe low-energy two-nucleon scattering and the deuteron data accurately. Using these potentials, the properties of nuclear matter are calcul...

1997
A. Minguzzi

A linear response framework is set up for the evaluation of collective excitations in a confined vapour of interacting Bose atoms at finite temperature. Focusing on the currently relevant case of contact interactions between the atoms, the theory is developed within a random phase approximation with exchange. This approach is naturally introduced in a two-fluid description by expressing the den...

Journal: :The Biochemical journal 1952
D KEILIN E F HARTREE

Bentley, R. & Neuberger, A. (1949). Biochem. J. 45, 584. Campbell, P. N. & Creasy, N. H. (1949). Biochem. J. 44, xl. Cecil, R. & Ogston, A. G. (1948a). Biochem. J. 42, 229. Cecil, R. & Ogston, A. G. (1948b). Biochem. J. 43, 592. Cori, G. T. & Cori, C. F. (1940). J. biol. Chem. 135, 733. Coulthard, C. E., Michaelis, R., Short, W. F., Sykes, G., Skrimshire, G. E. H., Standfast, A. F. B., Birkinsh...

Journal: :Comput. Meth. in Appl. Math. 2011
Venera Khoromskaia Boris N. Khoromskij Reinhold Schneider

In this paper, the tensor-structured numerical evaluation of the Coulomb and exchange operators in the Hartree-Fock equation is supplemented by the usage of recent quantized-TT (QTT) formats. It leads to O(log n) complexity at computationally extensive stages in the rank-structured calculation with the respective 3D Hartree and exchange potentials discretized on large n × n × n Cartesian grids....

2013
Kenneth Ruud Trygve Helgaker Keld L. Bak

Molecular magnetizabilities have been calculated at the Hartree-Fock level for a series of diamagnetic molecules: H20, NH3 , CH4 , PH3 , H2S, CO2 , CSO, CS2 , and C3H4 • Gauge invariance is imposed by the use of London atomic orbitals. The results are compared to those obtained with the IGLO (individual gauge for localized orbitals) method and are found to converge faster to the basis set limit...

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