Electronic Structure Calculations Using An Adaptive Wavelet Basis
Abstract
The use of a wavelet basis can lead to efficient methods for performing ab initio electronic structure calculations of inherently localized structures. In this work wavelets are used to construct an adaptive basis which is optimized dynamically throughout the calculation. The computational effort of such a method should scale linearly with the number of basis functions. The adaptive basis is tested for the case of bulk Si using only a local s-pseudopotential.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 1998
- Source ID
- 10.1155/1998/62853
Entities
People
- D. A. Richie
- K. Hess
- P. Von Allmen
- Richard M Martin
Organizations
- Office of Naval Research
- University of Illinois Urbana–Champaign