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Influence of the choice of projection manifolds in the CASPT2 implementation
Authors: Yanai, Takeshi; Kurashige, Yuki; Saitow, Masaaki; Chalupsky, Jakub; Lindh, Roland; Malmqvist, Per-Ake
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Molecular Physics
Volume: 115
Issue / Number: 17-18
Start Page: 2077
End Page: 2085
Document Type: Article
ID: 735467.0


Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States
Authors: Yanai, Takeshi; Saitow, Masaaki; Xiong, Xiao-Gen; Chalupsky, Jakub; Kurashige, Yuki; Guo, Sheng; Sharma, Sandeep
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Theory and Computation
Volume: 13
Issue / Number: 10
Start Page: 4829
End Page: 4840
Document Type: Article
ID: 735524.0