Originalsprog | Engelsk |
---|---|
Tidsskrift | Theoretical Chemistry Accounts |
Vol/bind | 32 |
Udgave nummer | 3 |
Sider (fra-til) | 203-216 |
ISSN | 1432-881X |
Status | Udgivet - 1974 |
Udgivet eksternt | Ja |
Selection of configurations for SCF-CI (configuration interaction) calculations of spectral properties and comparison with time-dependent Hartree-Fock calculations. I. Convergence to CCI (complete CI) results in PPP (Pariser-Parr-Pople) calculations on So.far.Sx transitions in 6π-electron systems
John W. Downing, Josef Michl, Poul Jørgensen, Erik W. Thulstrup
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review