DFT functional) BOD -bicyclooctadienediyl CASSCF -complete active space SCF CI -configuration interaction CJTE -cooperative JTE CNDO -complete neglect of differential overlap COT -cyclooctatetraene CPJTE -cooperative PJTE DFT -density functional theory DPH -diphenylhexatriene EPR (ESR) -electron paramagnetic resonance (electron spin resonance) EXAFS -extended X-ray absorption fine structure HF -Hartree-Fock HOMO -highest occupied MO HTSC -high-temperature superconductivity INDO -intermediate neglect of differential overlap IR -infrared JT -Jahn-Teller JTE -Jahn-Teller effect LSD -local spin density LUMO -lowest unoccupied MO MCSCF -multicenter SCF MCZDO -multicenter zero differential overlap MFA -mean-field approximation xv Cambridge Books Online

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