An examination of the accuracy of some transcorrelated wavefunctions for the hydrogen molecule

Keywords

Wave function, Quantum mechanics, Physics

References

• Removal of electron-electron poles from many electron hamiltoniansJoseph O. Hirschfelder — 1963
• Molecular Schrödinger Equation. VIII. A New Method for the Evaluation of Multidimensional IntegralsHarold Conroy — 1967
• On the minimization of the variance of the transcorrelated hamiltonianNicholas C. Handy — 1971
• Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumEgil A. Hylleraas — 1929
• Accurate Electronic Wave Functions for the H 2 MoleculeW Kołos, Clemens Roothaan — 1960
• Towards an understanding of the form of correlated wavefunctions for atomsNicholas C. Handy — 1973
• Independent assessments of the accuracy of correlated wave functions for many-electron systemsSamuel Francis Boys — 1968
• Some bilinear convergence characteristics of the solutions of dissymmetric secular equationsSamuel Francis Boys — 1969
• A condition to remove the indeterminacy in interelectronic correlation functionsSamuel Francis Boys, Nicholas C. Handy — 1969
• The convergence of the lowest eigenvalue of a real nearly-symmetric matrixE A G Armour — 1972

Cited by

• The optimization of the nonlinear parameters in the transcorrelated method: the hydrogen moleculeJohn P. Huggett, E A G Armour — 1976
• An upper bound on the internuclear distance below which a proton and an antiproton are unable to bind an electron and a positronE A G Armour, Joanne M. Carr, V. Zeman — 1998
• HYDROGEN-ANTIHYDROGEN INTERACTIONSE A G Armour, Joanne M. Carr — 1998
• The theoretical treatment of low-energy e+-H2 scattering using Kohn trial functions containing Hylleraas-type functionsE A G Armour, D. James Baker — 1987
• An application of a theorem of boys on numerical integrationSusan Rice, E A G Armour — 1975
• Expectation values for the hydrogen molecule obtained using a transcorrelated wavefunctionE A G Armour — 1974
• Lower bound molecular orbitals for H 2+, HeH++, and H 3++J. W. Johnson, R. D. Poshusta — 1977
• Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation.Abdallah Ammar, Anthony Scemama, Emmanuel Giner — 2023
• Calculations of Scattering Cross Sections and Annihilation Rates in Low Energy Collisions of Positrons with Molecular HydrogenE. Armour — 1987
• Positron Physics in a New PerspectiveE. Armour, C. Chamberlain — 2001

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