The computation of intermolecular forces with Gaussian basis functions. Illustration with He2
β Scribed by Burton, Peter G.
- Book ID
- 121000361
- Publisher
- American Institute of Physics
- Year
- 1977
- Tongue
- English
- Weight
- 737 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.434636
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π SIMILAR VOLUMES
Is Augst 1979 TOTAL ENERGIES OF MOLECULES WITH THE LOCAL DENSITY FUNCTIONAL APPROXIMATION AND GAUSSLAN BASIS SETS ELIZUO KITAURA, Chikatoshi SATOKO end Keiji biOROKUhlA Im~inirc for \_tIokcuIar Scimcr. ni.daiji\_ Okazaki 4-M. Japan Rtxched 2 1 11.~ 1979 Total energies of small molecuk~ xtere calcula
## Abstract Within the framework of the complex basis function method, the photoionization cross sections of H and H~2~ were calculated based on the variational principle for the frequencyβdependent polarizabilities. In these calculations, complex orbital exponents of Gaussianβtype basis functions