Calculation of rotational g-factors and magnetic susceptibilities of H3+
β Scribed by Jens Oddershede; John R. Sabin
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 530 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The magnetic susccptibdlty of hydrogen f!uorldc -s c.llculdtcd with four dlffcrcnt basis sets ofg:nugc invariant atomic orbit& (GIAO'F). Tbc Rooth.ran equations arc colvcd for various vcllucs of the magnetic field strcn,gtb and the susccptlbdrty is dcduccd by .I numerical differcnti.ltIon of the cnc
A priori prediction of vibrational magnetic dipole transition moments and vibrational strengths requires the calculation of the overlap integral of the derivatives of the electronic wavefunction with respect to nuclear displacement and an external magnetic field. The efficient calculation of this in