Electron propagator calculations on uracil and adenine ionization energies
โ Scribed by O. Dolgounitcheva; V. G. Zakrzewski; J. V. Ortiz
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 154 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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 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
A new approximation of the electron propagator includes second-order terms in the superoperator Hamiltonian matrix that are not present in the nondiagonal, ลฝ . ลฝ . renormalized method NR2 of J. Chem. Phys. 108, 1008 1998 . These terms are not difficult to calculate and resemble expressions obtained