✦ LIBER ✦

Generalized variational density functional perturbation theory

✍ Scribed by Putrino, Anna; Sebastiani, Daniel; Parrinello, Michele

Book ID: 121008511
Publisher: American Institute of Physics
Year: 2000
Tongue: English
Weight: 432 KB
Volume: 113
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1312830

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Variational density-functional perturbat

Variational density-functional perturbation theory for dielectrics and lattice dynamics

✍ Refson, Keith; Tulip, Paul R.; Clark, Stewart J. 📂 Article 📅 2006 🏛 The American Physical Society 🌐 English ⚖ 650 KB

Generalized-gradient-functional treatmen

Generalized-gradient-functional treatment of strain in density-functional perturbation theory

✍ Hamann, D. R.; Rabe, Karin M.; Vanderbilt, David 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 74 KB

-based density functional perturbation t

-based density functional perturbation theory

✍ Floris, A.; de Gironcoli, S.; Gross, E. K. U.; Cococcioni, M. 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 582 KB

Pair density functional theory — a gener

Pair density functional theory — a generalized density functional theory

✍ Paul Ziesche 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 488 KB

Accuracy of generalized gradient approxi

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

✍ He, Lianhua; Liu, Fang; Hautier, Geoffroy; Oliveira, Micael J. T.; Marques, Migu 📂 Article 📅 2014 🏛 The American Physical Society 🌐 English ⚖ 951 KB

Dielectric tensor, effective charges, an

Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory

✍ Gonze, Xavier; Allan, Douglas C.; Teter, Michael P. 📂 Article 📅 1992 🏛 The American Physical Society 🌐 English ⚖ 224 KB