He^3+_2 and HeH^2+ molecular ions in a strong magnetic field: The Lagrange-mesh approach

DOI10.1016/J.PHYSLETA.2012.03.044MaRDI QIDQ1947726zbMATH OpenOpenAlexFDO

Authors Horacio Olivares-Pilón

Publication date 23 April 2013

Published in Physics Letters. A (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1112.3463

zbMATH Keywords

exotic molecular ionsstrong magnetic field

Mathematics Subject Classification ID

Mesh generation, refinement, and adaptive methods for the numerical solution of initial value and initial-boundary value problems involving PDEs (65M50) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Molecular physics (81V55)

Abstract: Accurate calculations for the ground state of the molecular ions He${}_2^{3+}$ and HeH${}^{2+}$ placed in a strong magnetic field $Bgtrsim10^2$ a.u. ($approx2.35imes10^{11}$G) using the Lagrange-mesh method are presented. The Born-Oppenheimer approximation of zero order (infinitely massive centers) and the parallel configuration (molecular axis parallel to the magnetic field) are considered. Total energies are found with 9-10 s.d. The obtained results show that the molecular ions He${}_2^{3+}$ and HeH${}^{2+}$ exist at $B>100$,a.u. and $B>1000$,a.u., respectively, as predicted in cite{Tu:2007} while a saddle point in the potential curve appears for the first time at $Bsim80$ a.u. and $Bsim740$ a.u., respectively.

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Cites work

• Generalised meshes for quantum mechanical problems
• JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices

Cited in

(3)

• Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach
• The Lagrange-mesh method
• Two charges on plane in a magnetic field. III: \(\mathrm{He}^+\) ion

Describes a project that uses

Uses Software

• JADAMILU

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