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

Research output: Contribution to journalJournal articleResearchpeer-review

Original languageEnglish
JournalTheoretical Chemistry Accounts
Issue number3
Pages (from-to)203-216
Publication statusPublished - 1974
Externally publishedYes

Cite this