Arithmetic aspects of atomic structures
The authors treat here a simplified picture of the Hamiltonian \(H_{Z,N}=\sum^N_{i=1}(-\Delta_{x_i}-Z| x_i|)+\sum_{i\neq j}1/(2| x_i-x_j|)\), given by \[ H_{Z,N}^{ind}=\sum^N_{i=1}(-\Delta_{x_i}-V_{TF}(x_i)). \] They give an estimate for the error term in the semiclassical approximation to the sum of the negative eigenvalues of \((-\Delta+V)\) and to \(\rho(x)\). Their method is connected with a problem in analytic number theory [cf. Adv. Math. 119, 26-116 (1996; Zbl 0845.34086); Commun. Partial Differ. Equations 21, 1087-1102 (1996; Zbl 0857.35105)]. They prove that the atomic energies take the form \[ E(Z)=-C_{TF}Z^{7/3}+Z^2/8-C_sZ^{5/3}+O(Z^{5/3-a}),\;a>0, \] from the viewpoint of large-\(Z\) asymptotics. Here \(E(Z)=\inf_{N\geq 0}\{\inf_{\|\psi\|=1}\langle\psi,H_{Z,N}\psi\rangle\}\). Finally, in order to account for an atomic shell structure etc., they derive a new Thomas-Fermi type density model, given by the system \[ \rho(x)=\bigl(q/(6\pi^2)\bigr)V^{3/2}(x)+\rho_{NT}(V,x),\quad\Delta V=4\pi\rho. \] They calculate \(V(x)=Z^{4/3}V_{TF}(Z^{1/3}x)+ZV_1(Z^{1/3}x)\), numerically, as a perturbation of the Thomas-Fermi model.
- Pascal's triangle, non-adjacent numbers, and \(D\)-dimensional atomic orbitals
- A combined density functional and semiclassical approach to describe atomic/ionic radii
- Asymptotics-based CI models for atoms: properties, exact solution of a minimal model for Li to Ne, and application to atomic spectra
- Mathematical results on the structure of large atoms
- scientific article; zbMATH DE number 1339025 (Why is no real title available?)
- scientific article; zbMATH DE number 764386 (Why is no real title available?)
- A number-theoretic estimate for the thomas-fermi density
- THE THOMAS–FERMI–GOMBÁS ATOM MODELS IN WHICH THE ELECTRONS ARE GROUPED INTO n- AND nl-SHELLS AND A CALCULATION OF THE ATOMIC FORM FACTOR
- Complexity of atoms, combinatorially
This page was built for publication: Arithmetic aspects of atomic structures
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4371937)
