Continuum solutions to the two-center Coulomb problem in prolate spheroidal coordinates

DOI10.1016/j.cpc.2022.108514zbMath1523.81067MaRDI QIDQ6097320

Igor Bray, Barry I. Schneider, Dmitry V. Fursa, Adam Singor, Jeremy S. Savage

Publication date: 5 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

Coulomb wave functionstwo-centerprolate spheroidal

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Stability, separation, extension, and related topics for functional equations (39B82) Software, source code, etc. for problems pertaining to quantum theory (81-04) General harmonic expansions, frames (42C15) Electromagnetic theory (general) (78A25) Software, source code, etc. for problems pertaining to computer science (68-04) Special bases (entangled, mutual unbiased, etc.) (81P55)

Cites Work

• Unnamed Item
• Continuum wave functions for the two-center, one-electron system
• A finite-difference Newton-Raphson solution of the two-center electronic Schrödinger equation
• Solutions to a generalized spheroidal wave equation: Teukolsky’s equations in general relativity, and the two-center problem in molecular quantum mechanics
• LAPACK Users' Guide
• Properties of the Hydrogen Molecular Ion II: Photo-Ionization from the 1s _g, 2s _gand 3s _gStates

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