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RSS Feeds[ASAP] Tracking Excited States in Wave Function Optimization Using Density Matrices and Variational Principles (Journal of Chemical Theory and Computation)

 
 

24 august 2019 03:03:15

 
[ASAP] Tracking Excited States in Wave Function Optimization Using Density Matrices and Variational Principles (Journal of Chemical Theory and Computation)
 


Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00351


 
208 viewsCategory: Chemistry
 
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[ASAP] Efficient Semi-Numerical Implementation of Relativistic Exact Exchange within the Infinite-Order Two-Component Method Using a Modified Chain-of-Spheres Method (Journal of Chemical Theory and Computation)
 
 
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