Binding of an electron to a molecular quadrupole: (BeO)2
β Scribed by Kenneth D. Jordan; Joel F. Liebman
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 426 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Ab initio c;tlcuhtmns are presented for CJ ctic (BsO)~ and as .m~on. The dimerization energ' of tha neutral specΓ―o 15 found to be 7.2 rV_ The anion is predicted to be stabIe to both dΓ―ssociation 2nd autoderxhment ofan electron The bind-_ iq of rhe 'iz~rr.~"eIectron is considered as arisin~ primarlly from the I.~rgz quadrupok field of rhe neurml molecule.
π SIMILAR VOLUMES
Values of molecular quadrupole moments are calculated using the CNDO/2 and INDO methods and compared with experiment and other calcuiations. Tbe agreement is good, except for ii systems both lineax and planar. Consideration of tbls disagreement suggests that use of RAO's which are less compressed pe
The critical dipole moment for electron binding to a finite no?-stationary electric dipole is determined. The critical moment is found to depend on the masses an3 separation of the dipole charges.
The core potentials for atoms of atomic numer 1-18 fitted to ion spectra by Chang, Habitz, Pittel, and Schwarz have been extended to the molecular case in a Gaussian lobe basis by using a six-Gaussian (6G-POT) representation for the exponential factors of the atomic core potentials. In a ( 9 s / 5 p