𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electron propagator calculations on the ionization energies of CrH−, MnH− and FeH−

✍ Scribed by Jyh-Shing Lin; J.V. Ortiz

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
347 KB
Volume
171
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Coupled-cluster reference electron propa
Coupled-cluster reference electron propagator calculations on the ionization energies of O2
✍ J.V. Ortiz 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 436 KB

Electron propagator calculations of various levels are compared with coupled-cluster and Fock-space coupled-cluster methods on 0s ionization energies where final states are dominated by a single configuration. Among the electron propagator methods is an approximation that employs corrections to refe

Electron propagator calculations on the
Electron propagator calculations on the discrete spectra of ArH and NeH
✍ Eric P. Parker; J.V. Ortiz 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 390 KB

Electron propagator calculations on the electron affinities of ArH+ and NeH+ are performed at the equilibrium bond lengths of these cations. Several neutral state energies with \*Z+ and 'II symmetry are calculated with basis sets that include many diffuse s and p functions. Certain features in exper

Ab initio MO calculations on the electro
Ab initio MO calculations on the electronic and geometric structure of fullerene dications, C2+60, and the double-ionization energy of C60
✍ Jan Hrušák; Helmut Schwarz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio SCF calculations have been performed to determine the equilibrium geometry of the doubly charged firllerene, Cg . A significant Jahn-Teller distortion is found to be operative. The adiabatic double-ionization energy for the process C&I,) +Cg (DM) is calculated to be IE,,= 18.9 eV, this nu