✦ LIBER ✦

Fast Hartree–Fock theory using local density fitting approximations

✍ Scribed by Polly, Robert; Werner *, Hans-Joachim; Manby, Frederick R.; Knowles, Peter J.

Book ID: 111892995
Publisher: Taylor and Francis Group
Year: 2004
Tongue: English
Weight: 238 KB
Volume: 102
Category: Article
ISSN: 0026-8976
DOI: 10.1080/0026897042000274801

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Analytical Gradients of Hartree–Fock Exc

Analytical Gradients of Hartree–Fock Exchange with Density Fitting Approximations

✍ Boström, Jonas; Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland 📂 Article 📅 2012 🏛 American Chemical Society 🌐 English ⚖ 291 KB

Local density exchange approximations ve

Local density exchange approximations versus hartree-fock for ground-state calculations

✍ Jerry L. Ivey 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB

Explicitly correlated second-order pertu

Explicitly correlated second-order perturbation theory using density fitting and local approximations

✍ Werner, Hans-Joachim; Manby, Frederick R. 📂 Article 📅 2006 🏛 American Institute of Physics 🌐 English ⚖ 677 KB

A new mixing of Hartree–Fock and local d

A new mixing of Hartree–Fock and local density-functional theories

✍ Becke, Axel D. 📂 Article 📅 1993 🏛 American Institute of Physics 🌐 English ⚖ 636 KB

A new mixing of Hartree–Fock and local d

A new mixing of Hartree–Fock and local density-functional theories

✍ Becke, Axel D. 📂 Article 📅 1993 🏛 American Institute of Physics 🌐 English ⚖ 636 KB

Previous attempts to combine Hartree–Fock theory with local density-functional theory have been unsuccessful in applications to molecular bonding. We derive a new coupling of these two theories that maintains their simplicity and computational efficiency, and yet greatly improves their predictive po

A perturbation theory using a local pote

A perturbation theory using a local potential from Hartree–Fock orbitals

✍ F.R. Manby; P.J. Knowles 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 119 KB