| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382615 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠Developed a linear-scaling purification method to calculate density matrix. ⺠Developed optimized purification polynomials. ⺠Optimized polynomials are non-monotonic and do not have stable fixed points at 0 and 1. ⺠Significant reduction in the computational effort to calculate the density matrix. ⺠Effective for systems with extremely small band gap.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Phanish Suryanarayana,