Journal
CHIMIA
Volume 68, Issue 4, Pages 200-203Publisher
SWISS CHEMICAL SOC
DOI: 10.2533/chimia.2014.200
Keywords
Density Matrix Renormalization Group (DMRG); Electron correlation; Quantum chemistry
Categories
Funding
- ETH Research Grant [ETH-34 12-2]
Ask authors/readers for more resources
The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical nature, pitfalls that can affect the accuracy of DMRG energies need to be circumvented. Here, after a brief introduction into this quantum chemical method, we discuss criteria that determine the accuracy of DMRG calculations.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available