A new method (IGAIM -individual gauges for atoms in molecules) is presented for relatively accurate ab initio calculations of molecular magnetic response properties. The current density induced within an atom in a molecule by an external magnetic field is well described by the coupled, perturbed Har
โฆ LIBER โฆ
Calculation of the average properties of atoms in molecules
โ Scribed by Biegler-Konig, F W; Nguyen-Dang, T Tung; Tal, Y; Bader, R F W; Duke, A J
- Book ID
- 125488468
- Publisher
- Institute of Physics
- Year
- 1981
- Tongue
- English
- Weight
- 682 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0022-3700
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