𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of vertical ionization potentials of H2O and Ne by many-body Rayleigh-Schrödinger perturbation theory

✍ Scribed by Ivan Hubač; Miroslav Urban


Publisher
Springer
Year
1977
Tongue
English
Weight
583 KB
Volume
45
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Application of many-body rayleigh-schröd
✍ I. Hubač; V. Kvasnička; A. Holubec 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 326 KB

The ionization potentials and electron affinities are calculated by the use of the many-body Rayleigh-SchrBdinger perturbation theory. This approach is elaborated up to the third order, where each perturbation contribution can be interpreted by the diagrammatic method. Some simple illustrative calcu

Ionization potentials of CH4 and H2O com
✍ Sally Prime; Michael A. Robb 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 492 KB

The vertical ionization potentials for CH4 and Hz0 are computed using the quasidegencratc many body perturbation method of Brandow in a pti function approximation that neglects nondiagonal hole line diagrams and all the "folded" diagrams. The results obtained for localised orbitals are significantly

Calculation of the vertical ionization p
✍ L.S. Cederbaum; G. Hohlneicher; S. Peyerimhoff 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 453 KB

## Reoziti 20 Aug&t 1971 The vertical ionization polentiak of formaklehyde are calculated by means of a perturbation theory which is based on the use of Green's functions. The results obtained ue discussed in comparison with the experimznta1 photoelectron spectrum.

Comments on the exclusion-principle-viol
✍ Ivan Hubač 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 618 KB

## Abstract When calculating the correlation energy where the effect of higher than double excitations is included by means of many‐body Rayleigh–Schrödinger perturbation theory (MB‐RSPT) through fourth order the problem of cancellation of exclusion‐principle‐violating (EPV) diagrams arises. The ca