Global integration of the Schrödinger equation within the wave operator formalism: the role of the effective Hamiltonian in multidimensional active spaces

DOI10.1088/1751-8113/49/19/195305zbMath1344.81074arXiv1604.05545OpenAlexW3102790987MaRDI QIDQ2991900

Arnaud Leclerc, David Viennot, Georges Jolicard, John P. Killingbeck

Publication date: 10 August 2016

Published in: Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1604.05545

zbMATH Keywords

numerical integration Schrödinger equation molecular quantum dynamics wave operator theory

Mathematics Subject Classification ID

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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