Compact contracted Gaussian‐type basis sets for halogen atoms. Basis‐set superposition effects on molecular properties
- 1 April 1984
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 5 (2), 146-161
- https://doi.org/10.1002/jcc.540050205
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Electronic structure of small copper clusters. II. Localized d hole in excited states and ionized states of Cu2 and Cu3The Journal of Chemical Physics, 1983
- Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elementsJournal of the American Chemical Society, 1982
- An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniquesChemical Physics, 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
- Basis set superposition effects on properties of interacting systems. Dipole moments and polarizabilitiesTheoretical Chemistry Accounts, 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. 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