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An alternative method to assess the quality of hartree-fock-roothaan wave functions

✍ Scribed by M.I. Menendez; R. Lopez; T.L. Sordo; J.A. Sordo

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A quality test for the Hartree-Fock-Root

✍ J. A. Sordo; L. Pueyo 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 206 KB

Determination of the derivatives of the

✍ A. G. Lazarev; I. F. Kovalev; V. P. Morozov 📂 Article 📅 1974 🏛 Springer 🌐 English ⚖ 160 KB

Constructing functions with the correct

✍ B. N. Plakhutin; G. M. Zhidomirov 📂 Article 📅 1986 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 408 KB

Quantum-Chemical Methods for the Constru

✍ N. D. Chuvylkin; E. A. Smolenskii; N. S. Zefirov 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 8 KB 👁 1 views

Optimization of wave function and geomet

✍ Head-Gordon, Martin; Pople, John A. 📂 Article 📅 1988 🏛 American Chemical Society 🌐 English ⚖ 877 KB

An insufficient adequacy of node surface

✍ N. D. Chuvylkin; E. A. Smolenskiĭ; N. S. Zefirov 📂 Article 📅 2010 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 157 KB