✦ LIBER ✦

Double-hybrid density-functional theory made rigorous

✍ Scribed by Sharkas, Kamal; Toulouse, Julien; Savin, Andreas

Book ID: 120068998
Publisher: American Institute of Physics
Year: 2011
Tongue: English
Weight: 511 KB
Volume: 134
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3544215

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Rigorous formulation of two-parameter do

Rigorous formulation of two-parameter double-hybrid density-functionals

✍ Fromager, Emmanuel 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 438 KB

General hybrid density functional theory

✍ Garnet Kin-Lic Chan 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB 👁 1 views

We generalize hybrid density functional theory to finite temperatures. We find that the internal potential generated by the orbital functionals leads to complications in the statistical mechanics of the reference system and the self-consistent procedure to obtain the density.

Double-hybrid density functional theory

Double-hybrid density functional theory for excited electronic states of molecules

✍ Grimme, Stefan; Neese, Frank 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 657 KB

from hybrid periodic density-functional

from hybrid periodic density-functional theory

✍ Muñoz, D.; Harrison, N. M.; Illas, F. 📂 Article 📅 2004 🏛 The American Physical Society 🌐 English ⚖ 94 KB

A multiconfigurational hybrid density-fu

A multiconfigurational hybrid density-functional theory

✍ Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jo̸rgen Aa.; Toulouse, Julien 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 642 KB

with screened hybrid density functional

with screened hybrid density functional theory

✍ El-Mellouhi, Fedwa; Brothers, Edward N.; Lucero, Melissa J.; Scuseria, Gustavo E 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 607 KB