✦ LIBER ✦

A new efficient approach to the direct restricted active space self-consistent field method

✍ Scribed by Klene, Michael; Robb, Michael A.; Blancafort, Lluı́s; Frisch, Michael J.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The restricted active space self-consist

✍ Malmqvist, Per Aake.; Rendell, Alistair.; Roos, Bjoern O. 📂 Article 📅 1990 🏛 American Chemical Society 🌐 English ⚖ 854 KB

Perspective on “The restricted active sp

✍ Mark S. Gordon; Luke Roskop; Ajitha Devarajan 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 60 KB

The unrestricted natural orbital–complet

✍ Bofill, Josep M.; Pulay, Peter 📂 Article 📅 1989 🏛 American Institute of Physics 🌐 English ⚖ 1004 KB

A novel perturbation-based complete acti

✍ Angeli, Celestino; Evangelisti, Stefano; Cimiraglia, Renzo; Maynau, Daniel 📂 Article 📅 2002 🏛 American Institute of Physics 🌐 English ⚖ 395 KB

A fully variational spin-orbit coupled c

✍ Ganyushin, Dmitry; Neese, Frank 📂 Article 📅 2013 🏛 American Institute of Physics 🌐 English ⚖ 600 KB

A valence-bond-based complete-active-spa

✍ Lluís Blancafort; Paolo Celani; Michael J. Bearpark; Michael A. Robb 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 326 KB