Explain briefly. (d) Explain how the electron configuration of the arsenic atom in the ground state is consistent with the existence of the following known compounds: Na 3 As, AsCl 3 , and AsF 5 . Answer: (a) 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 3 or [Ar] 3d 10 4s...
The ground-state electron configuration of Cr, Mo, and Ag are exceptions to the Aufbau principle. Which of the following is the electron configuration for Cr? A. [Ar]4s 1 3d 5 B. [Kr]5s 2 4d 4 C. [Xe]6s 2 5d 4 D. [Ar]4s 2 4d 4 E. [Kr]5s 2 4d 6 如何将EXCEL...
The ground-state spectroscopic quadrupole moments of 184Ir [J π=(5 ±);t 1 2=3.00] and 185Ir (J π= 5 2 −;t 1 2 = 14 h) have been determined by nuclear orientation as +2.2(4) b and −2.03(3) b, respectively. The negative QM of 185Ir can be explained only by a J...
High-precision calculations for few-electron atomic systemsRelativistic configuration interaction and many-body perturbation calculationsAb initio QED calculations of the ground-state binding energies of berylliumlike ions are performed for the wide range of the nuclear charge number: Z=18-96. The ...
The formation of a ground-state dimer is due to the resonance of a π -electron among two of the same species; thus, two aromatic groups are assumed to be in parallel configuration within a distance of, at most, 0.35 nm. Figure 3.13 shows the fluorescence spectra of the ground-state ...
Allen's, which is based on configuration energies. Using a combination of literature experi- mental values for ground state energies and ab initio calculated energies where experimental data are missing, we are able to provide electroneg- ativities for elements 1-96. The values are slightly ...
momentumJe = 1/213,14. The resulting four-fold degenerate exciton level is split by the electron–hole exchange interaction into a dark ground singlet state (J = 0) and a bright triplet (J = 1). At liquid helium temperatures, single cesium lead halide (CsPbX3) perovskite ...
The ground state of both, the cation,Fe+, and anion,Fe, are calculated with correlated wave functions and the ionization potential and the electron affinity are obtained. 展开 关键词: Wave functions Ground states Iron Electron correlation calculations Excited states ...
The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hubbard ground state for large instances may be beyond the reach of near-term
Schematic of the inverse DFT problem. The exact ground-state many-body wavefunction (\Psi ({{\bf{r}}}_{1},{{\bf{r}}}_{2},\ldots ,{{\bf{r}}}_{{N}_{e}})) and, hence, the ground-state electron density (\rho ({\bf{r}})) is obtained from configuration interaction calculat...