✦ LIBER ✦

Calculation of electrostatic fields in ionic crystals based upon the Ewald method

✍ Scribed by J.W. Weenk; H.A. Harwig

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 825 KB
Volume: 38
Category: Article
ISSN: 0022-3697
DOI: 10.1016/0022-3697(77)90209-8

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of electrostatic fields in i

Calculation of electrostatic fields in ionic crystals by a Bertaut method

✍ J.W. Weenk; H.A. Harwig 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 176 KB

The embedded ion method: A new approach

The embedded ion method: A new approach to the electrostatic description of crystal lattice effects in chemical shielding calculations

✍ Dirk Stueber 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 236 KB 👁 2 views

ChemInform Abstract: A New Method for th

ChemInform Abstract: A New Method for the Numerical Calculation of the Madelung Part of the Lattice Energy (MAPLE) in Ionic Crystals.

✍ V. MARX 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 26 KB 👁 2 views

Implementation of the finite field pertu

Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems

✍ Clovis Darrigan; Michel Rérat; Giuseppe Mallia; Roberto Dovesi 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 246 KB

## Abstract The finite field approach has been implemented in the periodic __ab initio__ CRYSTAL program and been used for calculating the dielectric constants of crystalline LiF and MgO (FCC structure) and BeO (wurtzite structure). To maintain the periodicity along the applied field direction, a “

ChemInform Abstract: Crystal Structure o

ChemInform Abstract: Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid.

✍ Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 34 KB 👁 3 views