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
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference14 articles.
1. A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to Zn
2. A systematic preparation of new contracted Gaussian‐type orbital basis sets. II. Test basis set for Cu2 molecule with and without splitting of the outer orbitals
3. A systematic preparation of new contracted Gaussian-type orbital sets. III. Second-row atoms from Li through ne
4. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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