We rely on a finite-field approach to calculate the static dipole ((u) and quadrupole ( C) polarizability and the first (/3) and second ( y) dipole hyperpolarizability of methane. Our best, CCSD( T) values for LY, /II and the mean value of y and C, obtained at&=2.052 aowitha (lls7p4d2f/6s2pld)[6s4p4
β¦ LIBER β¦
Dipole, quadrupole and higher order fields from simple coils
β Scribed by J.H. Coupland
- Book ID
- 107831876
- Publisher
- Elsevier Science
- Year
- 1970
- Weight
- 255 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0029-554X
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## Abstract The CF~3~ signals in the ^13^C{^1^H} spectrum of 1,1,1,3,3,3βhexafluoroisopropyl alcohol and the (__C__F~3~)~2~ CH signals in the corresponding triflate exhibit much greater complexity than might first be expected. The same holds for the ^13^C satellites in the ^19^F spectra. Complex pa