Search arXivSearch

arXiv · 0807.0628

Explicit large nuclear charge limit of electronic ground states for Li, Be, B, C, N, O, F, Ne and basic aspects of the periodic table

Abstract

This paper is concerned with the Schrödinger equation for atoms and ions with N=1 to 10 electrons. In the asymptotic limit of large nuclear charge $Z$, we determine explicitly the low-lying energy levels and eigenstates. The asymptotic energies and wavefunctions are in good quantitative agreement with experimental data for positive ions, and in excellent qualitative agreement even for neutral atoms ($Z=N$). In particular, the predicted ground state spin and angular momentum quantum numbers ($^1S$ for He, Be, Ne, $^2S$ for H and Li, $^4S$ for N, $^2P$ for B and F, and $^3P$ for C and O) agree with experiment in every case. The asymptotic Schrödinger ground states agree, up to small corrections, with the semi-empirical hydrogen orbital configurations developed by Bohr, Hund and Slater to explain the periodic table. In rare cases where our results deviate from this picture, such as the ordering of the lowest ${}^1D^o$ and ${}^3S^o$ states of the Carbon isoelectronic sequence, experiment confirms our, not Hund's, predictions.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Gero Friesecke, Benjamin D. Goddard. 2009-05-11. Explicit large nuclear charge limit of electronic ground states for Li, Be, B, C, N, O, F, Ne and basic aspects of the periodic table. https://arxiv.org/abs/0807.0628

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

A Functorial Theory of Defects in Abelian Chern-Simons Theory

Recent work has constructed Abelian Chern-Simons theories as categorical TQFTs, allowing us to naturally incorporate categorical defects and construct defect extensions of Abelian Chern-Simons TQFTs. We first identify the Turaev-Viro realizations of Abelian Chern-Simons theory in the center and doubled pointed modular cases, clarifying the distinction between single bulk realizations and canonical doubled ones. Alternatively, the Alterfold construction supplies the associated topological boundaries, domain walls, and condensation sectors, establishing an explicit Alterfold/Chern-Simons dictionary. We show that the finite quadratic module is the invariant controlling the bulk theory, its topological symmetries, orientation-reversal invariance, and defects. We further show that multicomponent Abelian BF theory arises as the extended TQFT of an off-diagonal Abelian Chern-Simons theory, placing it naturally within the same extended framework. Finally, we demonstrate that recently proposed Abelian Chern-Simons dualities do not define a genuine TQFT duality. These results provide a concrete model for defects in Abelian topological orders and suggest a route toward the non-Abelian case.

math-ph

Gradient nature of Laplacian growth

For a class of growth processes of Laplacian type in the plane, we suggest an interpretation as a ``gradient descent'' in the space of smooth closed curves. More precisely, we show that boundary of a growing domain moves along a gradient of a certain functional in the space of curves. In the simplest cases this functional is $\log (1/r)$, where $r$ is the external conformal radius of the growing domain.

math-ph

Entanglement-Inducing Quantum Markov Processes

We introduce a new model for a system of interacting bosons placed in an array of sites. At its core is a nonlinear, nonlocal evolution equation, which we have dubbed the Schrödinger-Dirichlet equation. The construction is closely related to the Bose-Hubbard model and to a specific type of generalized bosons. In contrast to conventional mean-field closures, the resulting nonlinear dynamics need not preserve product structure and can generate entanglement from initially separable states. The relevant methods of analysis are based on harmonic analysis for the multiplicative group of positive rationals.

math-ph