Iteration scheme for solving the system of coupled integro-differential equations for excited and ionized states of molecular systems

DOI10.3390/A11010001zbMATH Open1448.81483OpenAlexW2776426783MaRDI QIDQ2633232FDOQ2633232

Anton Kasprzhitskii, Georgy Lazorenko, Victor A. Yavna

Publication date: 8 May 2019

Published in: Algorithms (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.3390/a11010001

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zbMATH Keywords

integro-differential equationsexcited statesdeep shellmolecular orbitalionized statessingle center methodsubvalent shell

Mathematics Subject Classification ID

Quantum optics (81V80) Estimates of eigenvalues in context of PDEs (35P15) Integro-partial differential equations (45K05) Numerical solution of discretized equations for boundary value problems involving PDEs (65N22) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Fermionic systems in quantum theory (81V74)

Cites Work

• Solving Ordinary Differential Equations I
• New Developments in Molecular Orbital Theory
• Self-Consistent Field Theory for Open Shells of Electronic Systems
• Comparison of numerical solutions of the partial-wave Schrödinger differential and integral equations

Uses Software

• GAMESS

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