Optimal even-tempered Gaussian atomic orbital bases: first-row atoms
Conference
·
· Int. J. Quant. Chem., Symp., no. 9, pp. 289-295
OSTI ID:4085146
Atomic Hartree--Fock self-consistent-field energy-optimized even- tempered Gaussian bases are obtained for hydrogen, helium and all first-row atoms in their ground states. In comparison with Huzinaga-type bases the present energies are found to form somewhat weaker upper bounds. The utilization of the even-tempered Gaussian atomic orbital bases in molecular calculations is discussed with regard to their special capabilities. (auth)
- Research Organization:
- National Aeronautics and Space Administration, Hampton, VA
- NSA Number:
- NSA-33-021138
- OSTI ID:
- 4085146
- Conference Information:
- Journal Name: Int. J. Quant. Chem., Symp., no. 9, pp. 289-295
- Country of Publication:
- United States
- Language:
- English
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*CARBON-- ATOMIC MODELS
*FLUORINE-- ATOMIC MODELS
*HELIUM-- ATOMIC MODELS
*HYDROGEN-- ATOMIC MODELS
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