Stimulated Raman spectra from H2O, D2O, HDO, and solutions of NaClO4 in H2O and D2O

• Publisher: Elsevier Science
• Year: 1970
• Tongue: English
• Weight: 49 KB
• Volume: 5
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(70)85131-4

✦ Synopsis

The results are especially encouraging in the light of Konowalov's calculation [8]. He found that Hulth&n functions (integral transforms of 1s functions), which are somewhat better than k,(q) in the Z-electron+atomic case, reduce to scaled 1s functions in H2, except for larger R values. Since k, (v) is a gaussian transform it can easily be extended to systems with more than two centers. We wanted to show that even in the relatively unfavorable case of Ha good results are possible with integral transform orbitals of the,gaussian type, like k,(qr). The advantages of integral transform gaussians bectye morf pronounced for larger systems. The H3 and H3 molecule-ions are now under investigation.