A systematic preparation of new contracted Gaussian‐type orbitals. IX [54/5], [64/5], [64/6], [74/6], [74/7] and MAXI‐1–MAXI‐5 from Li to Ne
- 1 June 1985
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 6 (3) , 237-248
- https://doi.org/10.1002/jcc.540060311
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elementsJournal of the American Chemical Society, 1982
- A systematic preparation of new contracted Gaussian‐type orbital sets. VIII. MINI‐1 and MIDI‐1 sets for Ga through CdJournal of Computational Chemistry, 1982
- A systematic preparation of new contracted Gaussian‐ type orbital sets. VII. MINI‐3, MINI‐4, MIDI‐3, and MIDI‐4 sets for transition metal atomsJournal of Computational Chemistry, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. V. From Na through CaJournal of Computational Chemistry, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. VI. Ab initio calculation on molecules containing Na through ClJournal of Computational Chemistry, 1981
- 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 3dGTOsJournal of Computational Chemistry, 1981
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationThe Journal of Chemical Physics, 1973
- Self-Consistent Molecular Orbital Methods. XIV. An Extended Gaussian-Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row ElementsThe Journal of Chemical Physics, 1972
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966