Recursively generated linear constraints for variational two-particle reduced-density-matrix theory

Tamás Juhász,Neil Shenvi,David A. Mazziotti

Chemical Physics Letters（2007）

引用 6|浏览12

暂无评分

摘要

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.

查看译文

关键词

linear constraints,two-particle,reduced-density-matrix

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要