✦ LIBER ✦
Partial third-order quasiparticle theory: An application to the photoelectron spectrum of S-tetrazine
✍ Scribed by J. V. Ortiz
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 157 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
An alternative choice of reference state averages in electron propagator theory and retention of all self-energy terms through third-order gives rise to the partial third-order self-energy approximation, P3. Quasiparticle P3 calculations avoid the chief computational Ž . bottlenecks of third-order theory and the outer valence Green's function OVGF . P3 requires no multiplicative factors for scaling self-energy terms and produces better accuracy than OVGF. An application to the photoelectron spectrum of s-tetrazine illustrates the ability of the P3 method to predict correct final state orderings.