نتایج جستجو برای: fock method
تعداد نتایج: 1635525 فیلتر نتایج به سال:
Total and parity-projected level densities of iron-region nuclei are calculated microscopically by using Monte Carlo methods for the nuclear shell model in the complete (pf + 0g9/2)-shell. The calculated total level density is found to be in good agreement with the experimental level density. The Monte Carlo calculations offer a significant improvement over the thermal Hartree-Fock approximatio...
We elaborate further the functional Schrödinger-picture approach to the quantum field in curved spacetimes using the generalized invariant method and construct explicitly the Fock space, which we relate with the thermal field theory. We apply the method to a free massive scalar field in the de Sitter spacetime, and find the exact quantum states, construct the Fock space, and evaluate the two-po...
EJectron density distriiutions, derived from ap initio molecular wavefunttions, have been calculated for CNand SCNions. From these dynamic densities were calculated assuming-rigid body thermal. vibrations of the molecules. Comparison with the difference density in NaCN + 2&O, NaSCN and N&SCW, observed by X-ray diffraction, is fair. Remaining differences between theory and experiment are discuss...
To the memory of my first teacher Isaak Yakovlevich Pomeranchuk. Abstract The main features of QCD, e.g. confinement, chiral symmetry breaking, Regge trajectories are naturally and economically explained in the framework of the Field Correlator Method (FCM). The same method correctly predicts the spectrum of hybrids and glueballs. When applied to DIS and high-energy scattering it leads to the i...
In the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternative per se to the Fock approximat...
A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new convergence technique based on a variant of Anderson mixing is also presented which allows the equations to be solved more rapidly than block copolymer self-consistent field theory...
We study the phase behavior of ternary blends of Aand B-homopolymers and symmetric, or slightly asymmetric, AB-diblock copolymer as obtained from self-consistent field theory. We choose one value of the segregation in the weak to intermediate regime and determine the effects of varying the relative degrees of polymerization of the components. The diagrams we obtain, which contain the classical ...
Using the recently introduced maximum overlap method and Hartree–Fock Perturbation Theory (HFPT), we compute Hartree–Fock (HF) wavefunctions for triplet 1s ns states of the helium atom. Comparison with near-exact results from Nakatsuji’s free ICI method reveals that HF theory provides a simple route to accurate energies of these Rydberg states, especially for large n. © 2009 Wiley Periodicals, ...
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...
Spontaneous fission barriers, quadrupole inertia, and zero-point quadrupole-energy corrections are calculated for 252,256,258 Fm in the framework of the self-consistent Skyrme-Hartree-Fock+BCS theory. Two ways of computing dynamical inertia are employed: the Gaussian Overlap Approximation to the Generator Coordinate Method and crank-ing ansatz. The Skyrme results are compared with those of the ...
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