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On the use of bond functions in molecular calculations

โœ Scribed by Tao, Fu-Ming


Book ID
121003086
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
541 KB
Volume
98
Category
Article
ISSN
0021-9606

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The counterpoise method and bond functio
โœ Fu-Ming Tao ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 484 KB

The counterpoise method and bond functions are investigated by performing the complete fourth-order Meller-Plesset perturbation calculations for the molecular dissociation energies 0, of the ground state molecules Na and HF, using a series of basis sets systematically extended with polarization func