Theoretical or Mathematical/ atomic structurebinding energyDirac equationrelativistic corrections/ binding energyelectronssupercritical atomsbound-state eigenfunctionsDirac Hamiltonian/ A3120 Specific calculations and results for atoms and molecules A3130J Radiative and relativistic effects (atoms and molecules) A35...
32 (1985), 36-46; "Atomic-Binding-Energy Oscillations," ibid. 32 (1985), 47-63.Schwinger, J.: Thomas-Fermi model: The leading correction. Phys. ... J Schwinger - 《Physical Review A》 被引量: 129发表: 1980年 Molecular orbital description of silver clusters: Electronic structure Oscillat...
The atom/cluster binding-energy shifts have been obtained both from Slater’s transition-state energies (STS) and from tolal-energy differences (∆SCF). Relying upon these results we could examine, how the binding energy changes with increasing the size of the cluster, and we could compare ...
The linear combination of atomic orbitals discrete variational method is used to investigate the electronic structure and interatomic interactions of small transition metal particles in the local density theory. Binding energy curves to two three and four゛tom clusters of Fe, Ni, and Pt are calculated...
In the field of physics, this is what is known as binding energy, or the amount of mechanical energy it would take to disassemble an atom into its separate parts. This concept is used by scientists on many different levels, which includes the atomic level, the nuclear level, and in astrop...
Nuclear binding energy is the best measured property of the atomic nucleus, but no previous model of the nucleus has accurately explained the experimental data for small nuclei. Current models either get the general shape of the curve right but the magnitudes wrong, or get closer to the ...
Combining the bond-order-length-strength (BOLS) and atomic bonding and electronic model (BB model) with density functional theory (DFT) calculations, we studied the atomic bonding and electronic binding energy behavior of Bi atoms adsorbed on the Li(110) surface. We found that the Bi atoms ads...
the Department of Atomic Energy and Department of Science and Technology of the Government of India, the National Science Centre of Poland, the Ministry of Science, Education and Sports of the Republic of Croatia, RosAtom of Russia and the German Bundesministerium für Bildung, Wissenschaft, Forschun...
Binding energy curves have been calculated for the ground-state rare-gas diatomics Ne(2) and Ar(2) and for the alkaline-earth diatomic Be(2) using the nonempirical density functionals from the first three rungs of a ladder of approximations: the local spin density (LSD) approximation, the ...
energy (Fig.4j) of about 10 kJ/mol. The Kappa variant that lacks the N501Y mutation shows similar energy to the WT SARS-CoV-2. The mutation E484K in RBD changes the residue charge from a negative to a positive value and is present in two VoC (i.e. Beta and Gamma), while for ...