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Molecular integrals of relativistic effects with Gaussian-type orbitals

✍ Scribed by Osamu Matsuoka

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
42 KB
Volume
10
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Molecular integrals of relativistic effe
Molecular integrals of relativistic effects with gaussian-type orbitals
✍ Osamu Matsuoka πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 631 KB

## Abstract A mathematical analysis is presented of molecular integrals of relativistic interactions in molecules. The integrals are based on Gaussian‐type orbitals and include those arising from variation of electron mass with velocity, one‐electron Fermi contact interaction, electron spin‐same‐or

The scaling approach to multicenter mole
The scaling approach to multicenter molecular integrals with Slater-type orbitals
✍ Duckhwan Lee; Herschel Rabitz πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 344 KB

scaling approach to multicenter molecular inwgrals with Slatcr-type orbit& (STOs) is prescnred. The result is significant in that it shows (1) the esistcnce of 2 simple relationship betlveen multicenter intcprals snd (2) an implied computetional snvin~s. Operation count estimates indicate that the