The electronic mean field configuration interaction method: II – Improving guess geminals
نویسندگان
چکیده
منابع مشابه
Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster–configuration interaction method
Electronic excitation spectra of furan and pyrrole are reinvestigated by the symmetry-adapted cluster configuration-interaction method. The 47 and 46 lowest singlet and triplet electronic states are computed for furan and pyrrole, respectively. Two series ~1a2 and 2b1! of low-lying Rydberg states and the valence p–p* excited states strongly influence each other in both furan and pyrrole. The pr...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2007
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2007.10.107