Molecular electronic structure in one-dimensional Coulomb systems
arXiv:1701.02391 · doi:10.1039/C6CP06801D
Abstract
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally surprising, variety of stable 1D compounds (from diatomics to tetra-atomics) as well as a small collection of stable polymeric structures. We define the exclusion potential, a 1D analogue of the electrostatic potential, and show that it can be used to rationalise the nature of bonding within molecules. This allows us to construct a small set of simple rules which can predict whether a putative 1D molecule should be stable.
arXiv comment26 pages, 8 figures, 5 tables
References in corpus (17)
- Realization of an Excited, Strongly-Correlated Quantum Gas Phase
- Confinement induced molecules in a 1D Fermi gas
- Coupled-cluster theory for atoms and molecules in strong magnetic fields
- One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory
- Reference electronic structure calculations in one dimension
- Exact wave functions of two-electron quantum rings
- Exact ground state properties of the one-dimensional Coulomb gas
- Electrons above a Helium Surface and the One-Dimensional Rydberg Atom
- Ground state properties of the one-dimensional electron liquid
- Self-adjoint extensions of Coulomb systems in 1,2 and 3 dimensions
- Uniform electron gases. I. Electrons on a ring
- High-density correlation energy expansion of the one-dimensional uniform electron gas
- Chemistry in One Dimension
- Generalized local-density approximation and one-dimensional finite uniform electron gases
- One-dimensional Rydberg Gas in a Magnetoelectric Trap
- Mathematical predominance of Dirichlet condition for the one-dimensional Coulomb potential
- Symmetry-broken local-density approximation for one-dimensional systems