The two lowest electronic states of NaO, have been studied using ab initio methods, including RHF SCF, CISD, Davidsoncorrected CISD, UHF SCF, UMPZ-UMP4, CASSCF, and CISD based on CASSCF natural orbitals, with basis sets ranging in qualityfmmNa( lls7p/7s5p), 0(9sSpld/5s3pld) toNa(l3slDp2dlf/7s6p2dlf)
Potential surfaces and vibronic coupling for the conical intersection of the Ã2A1 and B̃2B2 states of NH2
✍ Scribed by Carlo Petrongolo; Robert J. Buenker; Sigrid D. Peyerimhoff
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 362 KB
- Volume
- 115
- Category
- Article
- ISSN
- 0009-2614
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