𝔖 Bobbio Scriptorium
✦   LIBER   ✦

FHI-gap: A code based on the all-electron augmented plane wave method

✍ Scribed by Hong Jiang; Ricardo I. Gómez-Abal; Xin-Zheng Li; Christian Meisenbichler; Claudia Ambrosch-Draxl; Matthias Scheffler


Book ID
119222378
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
478 KB
Volume
184
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A multireference configuration interacti
✍ Jing Ma; Shuhua Li; Wei Li 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB

## Abstract A multireference configurational interaction method based on the separated electron pair (SEP) wave functions, SEP‐CI approach, has been developed as an approximation to the traditional CASSCF method. It differs from the CASSCF method in that active orbitals are obtained from the SEP wa