Electron–electron interaction energy in He-like isoelectronic sequence with Z = 2–133

2020 ◽  
Vol 53 (7) ◽  
pp. 075003
Author(s):  
Mingwu Zhang ◽  
Deyang Yu ◽  
Xiaobin Ding
Keyword(s):  
Interaction Energy ◽  
Electron Interaction ◽  
Isoelectronic Sequence

QUANTUM MECHANICAL TREATMENT OF THE ELECTRON–BOSON INTERACTION VIEWED AS A COUPLING THROUGH FLUX LINES: POLARONS

2010 ◽  
Vol 24 (04) ◽  
pp. 479-495 ◽  
Author(s):  
VOICU DOLOCAN ◽  
ANDREI DOLOCAN ◽  
VOICU-OCTAVIAN DOLOCAN
Keyword(s):  
Interaction Energy ◽  
Structure Constant ◽  
Fine Structure Constant ◽  
Electron Interaction ◽  
Ionic Crystals ◽  
Phonon Interaction ◽  
Electron Phonon Interaction ◽  
Flux Lines ◽  
Quantum Mechanical Treatment ◽  
Equivalent Expression

By using a Hamiltonian based on the coupling through flux lines between electrons and bosons, we have calculated the electron–phonon interaction energy and the electron–electron interaction energy via bosons in an isotropic medium and in a lattice. We have calculated the correction energy to the electron energy due to the electron interaction with acoustic phonons and we have found that in covalent crystals it is of the order of 0.1 eV. Also, we have presented the results for the weak coupling and strong coupling polarons in ionic crystals. By applying this Hamiltonian to electron–electron interaction via mass less bosons we have found an equivalent expression for Coulomb's law, αℏc/R, where α is the fine structure constant.

Präzise Messung der totalen Wirkungsquerschnitte von Wismut, Blei, Silizium und Kohlenstoff für 130 eV-Neutronen

1971 ◽  
Vol 26 (3) ◽  
pp. 442-450 ◽  
Author(s):  
W. Dilg ◽  
H. Vonach
Keyword(s):  
Interaction Energy ◽  
Energy Dependence ◽  
Cross Sections ◽  
Resonance Method ◽  
Electron Interaction ◽  
Transmission Measurement ◽  
Nuclear Scattering ◽  
The Cross ◽  
Scattering Lengths ◽  
Bismuth Lead

Abstract A precise transmission measurement of the cross sections of Bismuth, Lead, Silicone and Carbon for 130 eV neutrons (Co-resonance) has been carried out. A new resonance method has been applied, using epithermal reactor neutrons, which have been scattered twice from Co-foils. - We obtained the total 130 eV cross sections: Bi: 9,182 ± 0,007 b, Pb: 11,295 ± 0,009 b, Si:2,0442 ± 0,0018 b, C: 4,746 ± 0,007 b. From these results the coherent nuclear scattering lengths (bound), Bi: 8,646 ± 0,005 fm, Pb : 9,524 ± 0,004 fm, C: 6,660 ± 0,006 fm, have been calculated, under consideration of various corrections (absorption, Schwinger-scattering, Incoherence, Neutron-Electron-Interaction, energy-dependence of nuclear-scattering).

Recent Radiative and Collisional Atomic Data of Astrophysical Interest

1988 ◽  
Vol 102 ◽  
pp. 129-132
Author(s):  
K.L. Baluja ◽  
K. Butler ◽  
J. Le Bourlot ◽  
C.J. Zeippen
Keyword(s):  
Mass Production ◽  
Bound States ◽  
Physical Models ◽  
Impact Excitation ◽  
Electron Impact Excitation ◽  
Atomic Data ◽  
Isoelectronic Sequence ◽  
Astrophysical Interest ◽  
Radiative Transitions ◽  
Forbidden Transitions

SummaryUsing sophisticated computer programs and elaborate physical models, accurate radiative and collisional atomic data of astrophysical interest have been or are being calculated. The cases treated include radiative transitions between bound states in the 2p4and 2s2p5configurations of many ions in the oxygen isoelectronic sequence, the photoionisation of the ground state of neutral iron, the electron impact excitation of the fine-structure forbidden transitions within the 3p3ground configuration of CℓIII, Ar IV and K V, and the mass-production of radiative data for ions in the oxygen and fluorine isoelectronic sequences, as part of the international Opacity Project.

QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface

2019 ◽  
Author(s):  
Prasanth Babu Ganta ◽  
Oliver Kühn ◽  
Ashour Ahmed
Keyword(s):  
Interaction Energy ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Water Interface ◽  
Mineral Surfaces ◽  
Soil Mineral ◽  
Phosphorus Adsorption ◽  
Covalent Bonds ◽  
Binding Mechanisms

The phosphorus (P) immobilization and thus its availability for plants are mainly affected by the strong interaction of phosphates with soil components especially soil mineral surfaces. Related reactions have been studied extensively via sorption experiments especially by carrying out adsorption of ortho-phosphate onto Fe-oxide surfaces. But a molecular-level understanding for the P-binding mechanisms at the mineral-water interface is still lacking, especially for forest eco-systems. Therefore, the current contribution provides an investigation of the molecular binding mechanisms for two abundant phosphates in forest soils, inositol hexaphosphate (IHP) and glycerolphosphate (GP), at the diaspore mineral surface. Here a hybrid electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) based molecular dynamics simulation has been applied to explore the diaspore-IHP/GP-water interactions. The results provide evidence for the formation of different P-diaspore binding motifs involving monodentate (M) and bidentate (B) for GP and two (2M) as well as three (3M) monodentate for IHP. The interaction energy results indicated the abundance of the GP B motif compared to the M one. The IHP 3M motif has a higher total interaction energy compared to its 2M motif, but exhibits a lower interaction energy per bond. Compared to GP, IHP exhibited stronger interaction with the surface as well as with water. Water was found to play an important role in controlling these diaspore-IHP/GP-water interactions. The interfacial water molecules form moderately strong H-bonds (HBs) with GP and IHP as well as with the diaspore surface. For all the diaspore-IHP/GP-water complexes, the interaction of water with diaspore exceeds that with the studied phosphates. Furthermore, some water molecules form covalent bonds with diaspore Al atoms while others dissociate at the surface to protons and hydroxyl groups leading to proton transfer processes. Finally, the current results confirm previous experimental conclusions indicating the importance of the number of phosphate groups, HBs, and proton transfers in controlling the P-binding at soil mineral surfaces.

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