Acceleration of convergence by density matrix extrapolation in CNDO/2 calculations
- 1 January 1972
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 26 (2) , 157-161
- https://doi.org/10.1007/bf00526543
Abstract
No abstract availableKeywords
This publication has 2 references indexed in Scilit:
- On the role of configuration interaction in semi-empirical methods. (CI calculations of energy surfaces)Chemical Physics Letters, 1971
- Accelerating the convergence of matrix Hartree-Fock calculationsChemical Physics Letters, 1971