Schrödinger equation solved for the hydrogen molecule with unprecedented accuracy

2016/01/14 by Krzysztof Pachucki, Jacek Komasa · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Charge (physics) #Charge radius #Chemistry #Cold Atom Physics and Bose-Einstein Condensates #Computational chemistry #Computational physics #Computer science #Hadron #Hydrogen #Hydrogen molecule #Materials science #Molecule #Physics #Proton #Quantum mechanics #RADIUS #Range (aeronautics) #Schrödinger equation #Statistical physics #Work (physics) #physics.chem-ph

paper · pdf · doi:10.1063/1.4948309

arxiv created 2016/01/14 · openalex publication_date 2016/04/28 · arxiv updated 2016/05/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

The hydrogen molecule can be used for determination of physical constants, including the proton charge radius, and for improved tests of the hypothetical long range force between hadrons, which require a sufficiently accurate knowledge of the molecular levels. In this work, we perform the first step toward a significant improvement in theoretical predictions of H2 and solve the nonrelativistic Schrödinger equation to the unprecedented accuracy of 10(-12). We hope that it will inspire a parallel progress in the spectroscopy of the molecular hydrogen.

Citations

• Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik
• The Ground State of the Hydrogen Molecule
• Correlated exponential functions in high precision calculations for diatomic molecules
• The size of the proton

Cited by

• Improved Ionization and Dissociation Energies of the Deuterium Molecule
• Relativistic corrections for the ground electronic state of molecular hydrogen