| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5388695 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
For BH the figure shows the improvement of the ground-state energy in an STO-6G basis set as linear expectation-value constraints are recursively added to the 2-positivity (DQG) conditions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tamás Juhász, Neil Shenvi, David A. Mazziotti,