✦ LIBER ✦
One-particle ionization energies from correlated wavefunctions: Applications to Be
✍ Scribed by Robert C. Morrison
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 305 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
One-particlr ionization energies are calcuhted from .m N-pzticle reference ground state configurntion ïnterxtion wavefunction b) sohing rhe secular equation in 3 space of (N -I)-particle functions formed b) annïhtlation of orbitais Qi from the reference \iavefunction. qI(V-I) = N"'I~~IX~,,)~~~)(.~t . X2V)dX1\r. The Is and 2s ionization energes obtained from 3 95 confi~uration ground state wawfunction for Be sre 1.701 and 0328 JU, respectiWl&'.