Self-consistent field calculations of the electronic states of radicals
โ Scribed by Ronald G. Selsby; Mitsunori Sukigara
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 641 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Different self-consistent field SCF iteration schemes for open-shell systems are discussed. After a brief summary of the well-known level shifting and ลฝ . damping procedure, we describe the quadratically convergent SCF QCSCF approach based on the gradient and the Hessian matrix in a space of orbital
The procedure of self-consistent calculation of excitonic states in T-shaped quantum wires is developed. The part of the exciton wave function describing an electron motion in the plane perpendicular to the wire direction and a term describing motion of a hole and the relative electron-hole motion i