✦ LIBER ✦

High-quality Hartree-Fock-Roothaan wave functions for molecular calculations

✍ Scribed by J.A. Sordo; L. Pueyo

Book ID: 119116429
Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 257 KB
Volume: 120
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(85)85086-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A quality test for the Hartree-Fock-Root

A quality test for the Hartree-Fock-Roothaan SCF wave functions

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

An alternative method to assess the qual

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

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

Improved Roothaan–Hartree–Fock wave func

Improved Roothaan–Hartree–Fock wave functions for atoms and ions with N≤54

✍ Koga, Toshikatsu; Watanabe, Shinya; Kanayama, Katsutoshi; Yasuda, Ryuji; Thakkar 📂 Article 📅 1995 🏛 American Institute of Physics 🌐 English ⚖ 430 KB

Lithium crystal properties from high-qua

Lithium crystal properties from high-quality Hartree-Fock wave functions

✍ J.D. Pack; H.J. Monkhorst; D.L. Freeman 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 231 KB

Even-tempered Roothaan-Hartree-Fock wave

Even-tempered Roothaan-Hartree-Fock wave functions for the third- and fourth-row atoms

✍ Toshikatsu Koga; Hiroshi Tatewaki; Ajit J. Thakkar 📂 Article 📅 1993 🏛 Springer 🌐 English ⚖ 502 KB

Calculation of the Peierls-Yoccoz transl

Calculation of the Peierls-Yoccoz translational mass for Hartree-Fock wave functions

✍ S. Marcos; H. Flocard; P.-H. Heenen 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 173 KB