Analytical Hartree‐Fock wavefunctions for the neutral atoms from helium to xenon

1974 ◽  
Vol 60 (8) ◽  
pp. 3342-3342 ◽  
Author(s):  
Carla Roetti ◽  
Enrico Clementi
Keyword(s):  
Neutral Atoms ◽  
Hartree Fock

Nuclear Mass Dependence of the Dirac–Breit–Pauli Hamiltonian

1974 ◽  
Vol 52 (6) ◽  
pp. 536-540 ◽  
Author(s):  
Jacek Karwowski ◽  
Serafin Fraga
Keyword(s):  
Mass Effect ◽  
Mass Dependence ◽  
Neutral Atoms ◽  
Nuclear Mass ◽  
Specific Mass ◽  
Hartree Fock ◽  
Relativistic Mass ◽  
Mass Correction ◽  
Order Of Magnitude ◽  
Mass Dependent

The nuclear mass dependent (relativistic, specific, and normal) corrections for many electron atoms are discussed. Numerical values, determined from Hartree–Fock functions for all the neutral atoms from helium through nobelium, show that the relativistic mass correction, never included in actual calculations, is of the same order of magnitude as the specific mass effect.

Compton profiles from numerical Hartree–Fock wave functions

1976 ◽  
Vol 54 (21) ◽  
pp. 2155-2158 ◽  
Author(s):  
Robert Benesch
Keyword(s):  
Impulse Approximation ◽  
Wave Functions ◽  
Neutral Atoms ◽  
Hartree Fock ◽  
Hf Wave

Nonrelativistic Compton profiles, J(q)'s, calculated within the impulse approximation from numerical Hartree–Fock (HF) wave functions are reported for the neutral atoms As (Z = 33) through Yb (Z = 70). Comparison with results reported for relativistic HF wave functions indicates that the overall effect of using the relativistic functions is to produce total J(q)'s which are flatter at the centre than those computed from nonrelativistic HF wave functions.

Calculation of the ground state energy of neutral atoms (Z ≤ 54) by the algebraic variant of the Hartree-Fock method

2013 ◽  
Vol 114 (3) ◽  
pp. 321-328 ◽  
Author(s):  
Yu. B. Malykhanov ◽  
M. V. Gorshunov ◽  
S. V. Evseev ◽  
I. N. Eremkin ◽  
R. M. Chadin
Keyword(s):  
Ground State Energy ◽  
Ground State ◽  
State Energy ◽  
Neutral Atoms ◽  
Hartree Fock

Slater–Condon parameters for the transition elements, evaluated from analytical Hartree–Fock functions

1968 ◽  
Vol 46 (19) ◽  
pp. 2228-2229
Author(s):  
Carolyn Fisk ◽  
Serafin Fraga
Keyword(s):  
Negative Ions ◽  
Neutral Atoms ◽  
Transition Elements ◽  
Hartree Fock ◽  
Positive Ions

The Slater–Condon integrals for the positive ions, neutral atoms, and negative ions from Sc to Zn have been evaluated from analytical Hartree–Fock functions.

scholarly journals Electron scattering cross-sections for particle transport modeling in a weakly ionized air plasma

2021 ◽  
Vol 51 ◽  
pp. 96-111
Author(s):  
Vasily Sergeevich Zakharov ◽  
Mikhail Evgenievich Zhukovskiy ◽  
Sergey Vasilievich Zakharov ◽  
Mikhail Borisovich Markov
Keyword(s):  
Elastic Scattering ◽  
Cross Section ◽  
Electron Scattering ◽  
Cross Sections ◽  
Electron Interaction ◽  
Inelastic Electron ◽  
Neutral Atoms ◽  
Hartree Fock ◽  
Wide Range ◽  
The Cross

Data on processes of electron scattering on ions and neutral atoms are required in fundamental studies and in applied research in such fields as astro- and laser physics, low density plasma simulations, kinetic modeling etc. Experimental and computational data on elastic and inelastic electron scattering in a wide range of electron energies is available mostly for the electron interaction with neutral atoms, but are very limited for the scattering on ions, notably for elastic processes. In present work the calculational approaches for the cross-section computation of electron elastic and inelastic scattering on neutral atoms and ions are considered. The atomic and ion properties obtained in quantum-statistical Hartree-Fock-Slater model are used in the direct computation of electron elastic scattering and ionization cross-sections by a partial waves method, semiclassical and distorted-wave approximations. Calculated cross-sections for elastic scattering on nitrogen and oxygen atoms and ions, and electron ionisation cross-sections are compared with the available experimental data and widely used approximations and propose consistent results. Considering applicability of Hartree-Fock-Slater model in wide scope of temperatures and densities, such approach to the cross-section calculation can be used in a broad range of energies and ion charges.

On the hyperfine structure of paramagnetic resonance: the s -electron effect

1955 ◽  
Vol 230 (1181) ◽  
pp. 169-187 ◽  
Keyword(s):  
Neutral Atoms ◽  
Transition Elements ◽  
Paramagnetic Resonance ◽  
Electron Effect ◽  
Hartree Fock ◽  
Full Explanation ◽  
Unpaired Spin ◽  
Paramagnetic Ions ◽  
The Right ◽  
Open Question

Unpaired s -electrons play an important part in hyperfine spectra, even when the nominal spectroscopic configuration contains no unpaired s -electrons. This situation occurs in paramagnetic resonance and optical spectra. A survey of the experimental evidence for the effect is given in relation to the paramagnetic ions and the neutral atoms of the 3 d transition elements. It appears that the central density of unpaired spin is nearly the same in all the ions of the group for which experimental data are available, while for the neutral atoms it is more variable, but of the same general magnitude. A calculation of the magnitude of the effect is attempted from first principles, starting from the Hartree–Fock self-consistent wave functions as a first approximation, and adding configurations in which 3 s -, 2 s - and 1 s -electrons are promoted. The promotion of a 3 s -electron is described by an integro-differential equation, which has been solved numerically in one particular case. The contribution turns out of the right sign but ten times smaller than the observed value. Promotion of 2 s - and l s -electrons yield similar equations, which, however, have not been solved, owing to the excessive labour involved. There is no reason to believe that they would not give smaller contributions still. The full explanation of the s -electron effect is thus still an open question.

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