Quantum mechanics of a simulated trihydrogen dication
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Publication:460962
DOI10.1007/S10910-014-0370-9zbMATH Open1300.81038arXiv1403.2121OpenAlexW1981566411MaRDI QIDQ460962FDOQ460962
Publication date: 9 October 2014
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Abstract: The Schroedinger equation is solved exactly within the Born-Oppenheimer approximation for a simulacrum of the -ion. The ion is assumed to form an isosceles triangle and the ground state energy is obtained over its geometrical parameter space. No multi-center molecular integrations are required. We indicate how the approximation to the actual molecule can be improved systematically.
Full work available at URL: https://arxiv.org/abs/1403.2121
Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55)
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