Novel Computational Methods for Nanostructure Electronic Structure Calculations
β Scribed by Wang, Lin-Wang
- Book ID
- 111967518
- Publisher
- Annual Reviews
- Year
- 2010
- Tongue
- English
- Weight
- 717 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0066-426X
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π SIMILAR VOLUMES
We present a new recursion method based on the Trotter formula for the electronic structure calculations of molecules or solids. The proposed method has the feature to be more effective at high temperatures in contrast with direct calculations methods (real space or plane waves methods).
We present a new perturbation method for calculating electronic structure based on 1) intuitive choice of a non-symmetric Ho and 2) application of a Van Vleck type of degenerate perturbation theory. The connection with Sinanoglu's pair formalism is developed. ## 1. Introd~cction Recently, there ha