✦ LIBER ✦

Optimization of wave function and geometry in the finite basis Hartree-Fock method

✍ Scribed by Head-Gordon, Martin; Pople, John A.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Geometry optimizations of unstable inter

✍ K. Yamaguchi; A. Nishio; S. Yabushita; T. Fueno 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 514 KB

Optimization of density matrix functiona

✍ Staroverov, Viktor N.; Scuseria, Gustavo E. 📂 Article 📅 2002 🏛 American Institute of Physics 🌐 English ⚖ 369 KB

New derivation of the Waller–Hartree–Foc

✍ Ruben Pauncz 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 313 KB

An alternative method to assess the qual

✍ M.I. Menendez; R. Lopez; T.L. Sordo; J.A. Sordo 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 283 KB

On the use of contracted basis functions

✍ F. Solliec; C. Mijoule; J.M. Leclercq 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 370 KB

The restriction of spin contamination in

✍ T. A. Claxton; D. McWilliams 📂 Article 📅 1970 🏛 Springer 🌐 English ⚖ 211 KB