A systematic preparation of new contracted Gaussian‐type orbital sets. IV. The effect of additional 3s functions introduced by the use of the six‐membered 3dGTOs
- 1 March 1981
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 2 (1) , 96-99
- https://doi.org/10.1002/jcc.540020116
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- Possible improvements of the interaction energy calculated using minimal basis setsTheoretical Chemistry Accounts, 1979
- A pseudo-potential calculation of the bonding of copper in Cu2 and CuClMolecular Physics, 1978
- Weak intermolecular interactionTheoretical Chemistry Accounts, 1975
- Weak intermolecular interactionTheoretical Chemistry Accounts, 1975
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- An application of the functional Boys-Bernardi counterpoise method to molecular potential surfacesTheoretical Chemistry Accounts, 1973
- Corr lation lectronique et effets de base dans l' tude de la liaison hydrog ne: le dim re mixte ammoniac-eauTheoretical Chemistry Accounts, 1973
- Ab initio study of Cu2and Cu2+Journal of Physics B: Atomic and Molecular Physics, 1973
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970