✦ LIBER ✦

Kinetic component of the correlation energy density functional: a quantitative description from information theory

✍ Scribed by Alipour, Mojtaba; Mohajeri, Afshan

Book ID: 127061769
Publisher: Taylor and Francis Group
Year: 2011
Tongue: English
Weight: 187 KB
Volume: 109
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268976.2011.601282

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Steric effect: A quantitative descriptio

Steric effect: A quantitative description from density functional theory

✍ Liu, Shubin 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 407 KB

Dispersion Energy from Density-Functiona

Dispersion Energy from Density-Functional Theory Description of Monomers

✍ Szalewicz, Krzysztof; Misquitta, Alston; Jeziorski, Bogumil 📂 Article 📅 2003 🏛 The American Physical Society 🌐 English ⚖ 95 KB

Polynomial and Padé Representations for

Polynomial and Padé Representations for the Kinetic Component Tc[ρ] of the Correlation Energy Density Functional

✍ Shubin Liu; Valentin Karasiev; Roberto López-Boada; Frank De Proft 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 175 KB 👁 1 views

Polynomial and Pade representations of the kinetic energy component ẃ x w x T of the correlation energy density functional E are presented in this article. Two c c w x approximate local formulas similar to the Wigner form for E are investigated for c w x T . Applications of these formulas along with

Local behavior of the kinetic energy in

Local behavior of the kinetic energy in density functional theory

✍ M. L. Zorita; J. A. Alonso; L. C. Balbas 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 556 KB

Prediction of the Derivative Discontinui

Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential

✍ Andrade, Xavier; Aspuru-Guzik, Alán 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 257 KB

Thomas–Fermi theory from a perturbative

Thomas–Fermi theory from a perturbative treatment of the hydrogenic limit energy density functional: A possible link to local density functional theory

✍ Libero J. Bartolotti; Robert G. Parr; Yoram Tal 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 278 KB