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A scalable and accurate algorithm for the computation of Hartree–Fock exchange

✍ Scribed by Ivan Duchemin; François Gygi

Book ID
108107592
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
386 KB
Volume
181
Category
Article
ISSN
0010-4655

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📜 SIMILAR VOLUMES

Exact-exchange Hartree–Fock calculations
Exact-exchange Hartree–Fock calculations for periodic systems. I. Illustration of the method
✍ C. Pisani; R. Dovesi 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 900 KB

## Abstract A scheme is presented for performing linear‐combination‐of‐atomic‐orbitals (LCAO) self‐consistent‐field (SCF) __ab initio__ Hartree–Fock calculations of the electronic structure of periodic systems. The main aspects which characterize the present method are (i) a thorough discussion of