Can we outperform the DIIS approach for electronic structure calculations?
- 19 June 2000
- journal article
- theoretical and-computational-developments
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 79 (2) , 82-90
- https://doi.org/10.1002/1097-461x(2000)79:2<82::aid-qua3>3.0.co;2-i
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- What is the best alternative to diagonalization of the Hamiltonian in large scale semiempirical calculations?The Journal of Chemical Physics, 1999
- Linear scaling computation of the Fock matrixThe Journal of Chemical Physics, 1997
- Solutions of Hartree-Fock equations for Coulomb systemsCommunications in Mathematical Physics, 1987
- Improved SCF convergence accelerationJournal of Computational Chemistry, 1982
- A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systemsChemical Physics, 1981
- A dynamical damping scheme for converging molecular scf calculationsChemical Physics Letters, 1979
- A “Level–Shifting” method for converging closed shell Hartree–Fock wave functionsInternational Journal of Quantum Chemistry, 1973
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951