scientific article; zbMATH DE number 1844070

zbMATH Open1010.81519MaRDI QIDQ4784472FDOQ4784472

Authors: Knut Fægri 

Publication date: 20 May 2003

Title of this publication is not available (Why is that?)

Recommendations

• Recent progress in relativistic electronic structure theory
• Calculation of atomic integrals between relativistic functions by means of algebraic methods
• Quantum mechanical calculations to chemical accuracy
• Ideal basis sets for the Dirac Coulomb problem: Eigenvalue bounds and convergence proofs
• On geminals and symplectic bases in quantum chemistry

zbMATH Keywords

basis setsquantum chemistryrelativistic calculations4-componenteven-tempered

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Chemistry (general) in thermodynamics and heat transfer (80A50)

Cited In (1)

• QUALITY: A program to assess basis set quality

This page was built for publication:

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4784472)