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Electron momentum density and Compton profile by a semi-empirical approach
(Elsevier, 2015-03)
Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental ...
Diurnal evolution of the F region electron density local time gradient at low and middle latitudes resolved by the Swarm constellation
(American Geophysical Union, 2016-09-02)
In this study we have provided new insights into the local time gradient of F region electron density (ΔNe) derived from the lower pair of Swarm satellites flying side by side. Our result shows that the electron density ...
Topology of the effectively paired and unpaired electron densities for complex bonding patterns: The three-center two-electron bonding case
(American Chemical Society, 2009-12)
Our previously reported local formalism of the electron density decomposition into effectively paired and unpaired densities is applied to electron deficient molecular systems possessing complex bonding patterns. It is ...
A study of the relationships between unpaired electron density, spin-density and cumulant matrices
(Springer, 2011-02)
This work describes the derivation of simple relationships between the density matrix of effectively unpaired electrons and the spin-density matrix in N-electron systems. The link between both devices turns out to be the ...
Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions
(American Institute of Physics, 2014-05)
Two-electron three-center bonding interactions in organic ions like methonium (CH
+
5
), ethonium (C2H
+
7
), and protonated alkanes n−C4H
+
11
isomers (butonium cations) are described and characterized within ...
Pairing and unpairing electron densities in organic systems: [1.1.1]Propellane case
(Elsevier, 2012-12-08)
We present a theoretical description of the case of the strained [1.1.1]propellane system by application of the local and nonlocal topological formalisms to the density decomposition into its effectively paired and unpaired ...
Electronic structure and effectively unpaired electron density topology in closo -Boranes: Nonclassical three-center two-electron bonding
(American Chemical Society, 2011-07)
This article provides a detailed study of the structure and bonding in closo-borane cluster compounds X2B3H3 (X = BH-, P, SiH, CH, N), with particular emphasis on the description of the electron distribution using the ...
Density functional theory and an experimentally-designed energy functional of electron density
(2016-01-01)
We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C[ρ], ...
The role of altitudinal variation of scale height in determining the topside electron density profile over equatorial and low latitude sectors
(Elsevier, 2014-10-23)
Studies on the topside electron density profile variations have gained significant importance in the recent past in view of the trans-ionospheric communication and navigation applications particularly over the equatorial ...
Improved electron density measurements at Jicamarca
(American Geophysical Union, 2007-11-27)
Taking into account the effects of electron Coulomb collisions, incoherent scatter (IS) radar cross sections for probing angles close to perpendicular to the magnetic field have been calculated and used to correct backscattered ...