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Semantic Scholar Open Access 2007 8004 sitasi

Restoring the density-gradient expansion for exchange in solids and surfaces.

J. Perdew A. Ruzsinszky G. Csonka Oleg A. Vydrov G. Scuseria +3 lainnya
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Abstrak

Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce a revised Perdew-Burke-Ernzerhof generalized gradient approximation that improves equilibrium properties of densely packed solids and their surfaces.

Topik & Kata Kunci

Medicine Physics

Penulis (8)

J

J. Perdew

A

A. Ruzsinszky

G

G. Csonka

O

Oleg A. Vydrov

G

G. Scuseria

L

L. Constantin

X

Xiaolan Zhou

K

K. Burke

Format Sitasi

APA MLA BibTeX
Perdew, J., Ruzsinszky, A., Csonka, G., Vydrov, O.A., Scuseria, G., Constantin, L. et al. (2007). Restoring the density-gradient expansion for exchange in solids and surfaces.. https://doi.org/10.1103/PhysRevLett.100.136406

Akses Cepat

Lihat di Sumber doi.org/10.1103/PhysRevLett.100.136406
Informasi Jurnal
Tahun Terbit
2007
Bahasa
en
Total Sitasi
8004×
Sumber Database
Semantic Scholar
DOI
10.1103/PhysRevLett.100.136406
Akses
Open Access ✓