✦ LIBER ✦

On the choice of active space orbitals in MCSCF calculations

✍ Scribed by David M. Rogers; Claire Wells; Melanie Joseph; Vanessa J. Boddington; Joseph J.W. McDouall

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the choice of the active space and th

✍ Eriksson, Leif A.; Lopez, Xabier; Boyd, Russell J. 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 635 KB

The use of polarized atomic orbitals in

✍ Alfredo M.J. Sánchez De Merás; Francisco Torrens Zaragozá; Ignacio Nebot Gil 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 386 KB

On the Nature of Unrestricted Orbitals i

✍ Beran, Gregory J.; Head-Gordon, Martin 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 126 KB

Spin-orbit coupling in biradicals. Ab in

✍ Carlacci, Louis; Doubleday, Charles; Furlani, Thomas R.; King, Harry F.; McIver, 📂 Article 📅 1987 🏛 American Chemical Society 🌐 English ⚖ 874 KB

MCSCF/6-31G(d,p) calculations of one-ele

✍ Koseki, Shiro; Schmidt, Michael W.; Gordon, Mark S. 📂 Article 📅 1992 🏛 American Chemical Society 🌐 English ⚖ 645 KB

On the use of UHF orbitals in ionization

✍ Stanislav Biskupič 📂 Article 📅 1979 🏛 Springer 🌐 English ⚖ 274 KB