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ICCS
2005
Springer
13 years 10 months ago
2005
Springer
Abstract. Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the Coupled Cluster method. Transformations using algeb...
IPPS
2006
IEEE
13 years 10 months ago
2006
IEEE
This paper presents a technique for memory optimization for a class of computations that arises in the field of correlated electronic structure methods such as coupled cluster and...
IPPS
2003
IEEE
13 years 9 months ago
2003
IEEE
The accurate modeling of the electronic structure of atoms and molecules involves computationally intensive tensor contractions involving large multi-dimensional arrays. The effi...