𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A spectrum slicing method for the Kohn–Sham problem

✍ Scribed by Grady Schofield; James R. Chelikowsky; Yousef Saad

Book ID
113554330
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
389 KB
Volume
183
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Simplified accurate approximation for th
Simplified accurate approximation for the Kohn-Sham potential using the KLI method
✍ J. B. Krieger; Yan Li; Yili Liu; G. J. Iafrate 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB

1993 is employed to calculate the Kohn᎐Sham KS potential, V , for the exchange-only x case in which the electron᎐electron interaction between ''core'' electrons in the Ž . Hartree᎐Fock exchange energy functional is treated in the local-spin-density LSD Ž . Ž . approximation with and without self-int

Numerical integration of the Kohn–Sham e
Numerical integration of the Kohn–Sham equations: Integral method for bound states
✍ Michel Roche 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 272 KB 👁 2 views

A numerical method is presented that solves the multicenter Kohn᎐Sham equations. The method couples the resolution of the integral form of the equation at a given energy with an iterative search for the eigenvalues. The validity of the method is checked by comparing some test calculations for diatom