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

DOI10.3390/A11010001MaRDI QIDQ2633232zbMATHOpenAlexFDO

Authors Anton Kasprzhitskii, Georgy Lazorenko, Victor A. Yavna

Publication date 8 May 2019

Published in Algorithms (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

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

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)

Recommendations

• A multigrid conjugate residual method for the numerical solution of the Hartree-Fock equation for diatomic molecules
• scientific article; zbMATH DE number 47575
• Iterative solution for groundstate of \(H^+_2\) ion
• Numerical solution of a system of integrodifferential equations arising from the quantum mechanical three-body problem with Coulomb interaction
• Excitation and ionization of molecules by a single-mode laser field using a time-dependent approach

Cites work

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

Describes a project that uses

Uses Software

• GAMESS

This page was built for publication: Iteration scheme for solving the system of coupled integro-differential equations for excited and ionized states of molecular systems

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2633232)