Potential energy curves for transition metal dimers and complexes calculated by the approximately projected unrestricted Hartree-Fock and Møller-Plesset perturbation (APUMP) methods

Potential energy curves of fluorine, nit

Potential energy curves of fluorine, nitrogen and ethylene calculated by approximately projected unrestricted Hartree-Fock and Møller-Plesset perturbation methods

✍ Y. Takahara; K. Yamaguchi; T. Fueno 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 522 KB

Potenttal energy curves of fluorine and mtrogen molecules and of ethylene have been calculated by the approximately projected unrestricted Hat-tree-Fock (APUHF) and Moper-Plesset nth-order perturbation ( APUMPn) methods. The correlation corrections for a symmetrically dissociating water molecule wer