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- W2095294219 abstract "Open-shell multi-configuration self-consistent-field calculations are reported for the lowest energy 1(π, π*) state of planar ethylene. The The largest orbital function basis is double-zeta in the occupied atomic orbitals augmented by Rydberg and polarization d type. The results, show a ste and it is argued that convergence with respect to these causes has not yet been achieved. It is further argued that in interpreting theoretical dihedral twisting curves in ethylene for the lowest energy 1B1u state differential correl" @default.
- W2095294219 created "2016-06-24" @default.
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- W2095294219 date "1973-04-01" @default.
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- W2095294219 title "Open-shell multi-configuration self-consistent-field results for the lowest energy 1(π, π*) state of planar ethylene" @default.
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- W2095294219 doi "https://doi.org/10.1016/0009-2614(73)80369-0" @default.
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