Ab initio methods for large systems
- 1 December 1991
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 40 (6) , 797-807
- https://doi.org/10.1002/qua.560400609
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Avoiding the integral storage bottleneck in LCAO calculations of electron correlationPublished by Elsevier ,2001
- General contraction of Gaussian basis sets. II. Atomic natural orbitals and the calculation of atomic and molecular propertiesThe Journal of Chemical Physics, 1990
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- MP2 energy evaluation by direct methodsChemical Physics Letters, 1988
- Ab initio calculations on large molecules: The multiplicative integral approximationJournal of Computational Chemistry, 1988
- The local correlation treatment. II. Implementation and testsThe Journal of Chemical Physics, 1988
- Dynamics of Proteins and Nucleic AcidsPublished by Cambridge University Press (CUP) ,1987
- Orbital-invariant formulation and second-order gradient evaluation in M ller-Plesset perturbation theoryTheoretical Chemistry Accounts, 1986
- Computational Aspects of Direct SCF and MCSCF MethodsPublished by Springer Nature ,1984
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982