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Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory I Hamiltonian matrix elements between internally contracted excited valence bond wave functions 期刊论文
http://dx.doi.org/10.1063/1.4801631, 2013
Chen, Zhenhua; Chen, Xun; Wu, Wei; 吴玮
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Donor and acceptor levels of organic photovoltaic compounds from first principles 期刊论文
http://dx.doi.org/10.1039/c2cp43491a, 2013
Dabo, Ismaila; Ferretti, Andrea; Park, Cheol-Hwan; Poilvert, Nicolas; Li, Yanli; Cococcioni, Matteo; Marzari, Nicola; 李艳丽
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Gas-Phase Thermodynamics as a Validation of Computational Catalysis on Surfaces: A Case Study of Fischer-Tropsch Synthesis 期刊论文
http://dx.doi.org/10.1002/cphc.201100909, 2012
Zhang, Igor Ying; Xu, Xin; 徐昕
收藏  |  浏览/下载：7/0  |  提交时间：2015/07/22
Koopmans' condition for density-functional theory 期刊论文
http://dx.doi.org/10.1103/PhysRevB.82.115121, 2010
Dabo, Ismaila; Ferretti, Andrea; Poilvert, Nicolas; Li, Yanli; Marzari, Nicola; Cococcioni, Matteo; 李艳丽
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
VB-MP2: A hybrid method combining valence bond theory and many-body perturbation theory 期刊论文
2002
Song, LC; 宋凌春; Lu, LY; 鲁兰原; Wu, W; 吴玮; Cao, ZX; 曹泽星; Zhang, QE; 张乾二
收藏  |  浏览/下载：3/0  |  提交时间：2012/05/05
A STUDY OF THE C-LI BOND IN METHYLLITHIUM AND OF THE POTENTIAL-ENERGY SURFACE FOR BOND BREAKING 期刊论文
1995
WU, W; 吴玮; MCWEENY, R
收藏  |  浏览/下载：1/0  |  提交时间：2012/10/08
TO ACHIEVE FERROMAGNETISM IN ORGANIC POLYMERS BY DOPING - QUANTUM-CHEMISTRY STUDIES 期刊论文
http://dx.doi.org/10.1109/20.278846, 1991
Li, J. B.; Zhang, Q. N.; 张乾二
收藏  |  浏览/下载：4/0  |  提交时间：2013/12/12

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