scholarly journals Energy expectation values of a particle in nonstationary fields

2015 ◽  
Vol 91 (1) ◽  
Author(s):  
Alexander J. Silenko
2015 ◽  
Vol 17 (47) ◽  
pp. 31558-31565 ◽  
Author(s):  
Szilvia Nagy ◽  
János Pipek

A highly economic prediction method for fine resolution wavelet coefficients of wave functions and energy expectation values is presented.


1975 ◽  
Vol 30 (8) ◽  
pp. 923-936
Author(s):  
J. Nitsch

Abstract The method of correlated basis functions is studied and applied to the Fermi systems: liquid 3 He, nuclear matter and neutron matter. The reduced cluster integrals xijkl... and so the sub-normalization integrals Iijkl... are generalized to coinciding quantum numbers out of the set {i, j, k, I,...}. This generalization has an important consequence for the radial distribution function g (r) (and then for the liquid structure function) ; g(r) has no contributions of the order O (A-1). For 3 He the state-independent two-body correlation function g(r) is calculated from the Euler-Lagrange equation (in the limit of r → 0) for the unrenormalized two-body energy functional. For nuclear matter and neutron matter we adopt the three-parameter correlation function of Bäckman et al. Then the energy expectation values are calculated by including up to the three-body terms in the unrenormalized and renormalized version of the correlated basis functions method. The experimental ground-state energy and density of liquid s He can be well reproduced by the present method with the Lennard-Jones-(6 -12) potential. The same method is applied to the nuclear matter and neutron matter calculations with the OMY-potential. The results of the energy expectation values indicate a practical superiority of the unrenormalized cluster expansion method over the renormalized one.


2007 ◽  
Vol 18 (01) ◽  
pp. 61-72 ◽  
Author(s):  
BEKİR ÇAKIR ◽  
AYHAN ÖZMEN ◽  
ÜLFET ATAV ◽  
HÜSEYİN YÜKSEL ◽  
YUSUF YAKAR

In this study, electronic properties of a low-dimensional quantum mechanical structure have been investigated by using Genetic Algorithm (GA). One- and two-electron Quantum Dot (QD) systems with an on-center impurity are considerable by assuming the confining potential to be infinitely deep and spherically symmetric. Linear combinations of Slater-Type Orbitals (STOs) were used for the description of the single electron wave functions. The parameters of the wave function of the system were used as individuals in a generation, and the corresponding energy expectation values were used for objective functions. The energy expectation values were determined by using the Hartree-Fock-Roothaan (HFR) method. The orbital exponent ζi's and the expansion coefficient ci's of the STOs were determined by genetic algorithm. The obtained results were compared with the exact result and found to be in a good agreement with the literature.


1972 ◽  
Vol 5 (3) ◽  
pp. 1092-1093 ◽  
Author(s):  
Harris J. Silverstone ◽  
Edward W. Stuebing

1983 ◽  
Vol 38 (3) ◽  
pp. 313-316
Author(s):  
Zvonimir B. Maksić ◽  
Krešimir Rupnik

Abstract The Ruedenberg type formula relating the total molecular energy to the sum of orbital energies is examined by using SCC-MO and ab initio DZ MO eigenvalues. Comparison with rigorous ab initio DZ energy expectation values indicates that Ruedenberg’s formula in its original form can not provide semiquantitative information on molecular energetics. Much more promissing in this respect is the electrostatic potential at the nuclei approach of Politzer and Parr.


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