1. |
- Larsson, Andreas, et al.
(författare)
-
Basis set study for the calculation of electronic excitations using Monte Carlo configuration interaction
- 2001
-
Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 114:1, s. 15-22
-
Tidskriftsartikel (refereegranskat)abstract
- A recipe for the calculation of excited states was presented, which constituted a significant step forward in making accurate excited state calculations. An acceptable energy difference between experimental and calculated energies to be less than 100 meV were also defined. The importance of a balanced description of the excited states and the ground state was emphasized and the resulting electronic transitions were compared with experimental values.
|
|
2. |
|
|
3. |
|
|
4. |
- Tong, Longyu, et al.
(författare)
-
Photo-dissociation of hydrogen passivated dopants in gallium arsenide
- 2002
-
Ingår i: Nuclear Instruments and Methods in Physics Research Section B. - 0168-583X .- 1872-9584. ; 186:1-4, s. 234-239
-
Tidskriftsartikel (refereegranskat)abstract
- A theoretical and experimental study of the photo-dissociation mechanisms of hydrogen passivated n- and p-type dopants in gallium arsenide is presented. The photo-induced dissociation of the Si Ga-H complex has been observed for relatively low photon energies (3.48 eV), whereas the photo-dissociation of C As-H is not observed for photon energies up to 5.58 eV. This fundamental difference in the photo-dissociation behavior between the two dopants is explained in terms of the localized excitation energies about the Si-H and C-H bonds.
|
|