✦ LIBER ✦

Calculation methods for spin density and other properties of molecular systems

✍ Scribed by M. M. Mestechkin; L. S. Gutyrya

Book ID: 112377158
Publisher: Springer
Year: 1975
Tongue: English
Weight: 597 KB
Volume: 10
Category: Article
ISSN: 0040-5760
DOI: 10.1007/bf00575105

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electron density functional method for m

Electron density functional method for molecular system calculations

✍ G. V. Gadiyak; Yu. N. Morokov; A. G. Mukhachev; S. V. Chernov 📂 Article 📅 1982 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 427 KB

A modification of McLachlan method for s

A modification of McLachlan method for spin density calculations

✍ Pascal Devolder 📂 Article 📅 1975 🏛 Springer 🌐 English ⚖ 161 KB

Magnetic properties of molecular systems

Magnetic properties of molecular systems: A nonlocal spin density functional study

✍ I.Lado Touriño; F. Tsobnang; A. Le Méhauté 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 449 KB

Suitability of density functional method

Suitability of density functional methods for calculation of electrostatic properties

✍ Soliva, Robert; Orozco, Modesto; Luque, F. Javier 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 234 KB 👁 2 views

A systematic analysis was performed on the suitability of the Ž . molecular electrostatic potential MEP and MEP-derived properties determined Ž . by means of density functional DFT methods. Attention was paid to the Ž . electrostatic potential ESP derived charges, the ESP and exact quantum mechanica

Local density calculations of correlatio

Local density calculations of correlation energy for molecular systems

✍ R. López-Boada; E. Valderrama; Y. Aray 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 212 KB

Method for evaluation of density functio

Method for evaluation of density functional integrals in molecular calculations

✍ Qiuping Bian; James D. Talman 📂 Article 📅 2004 🏛 Springer 🌐 English ⚖ 233 KB