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Tensor factorizations of local second-order Møller–Plesset theory
2011
Journal of Chemical Physics
Efficient electronic structure methods can be built around efficient tensor representations of the wavefunction. Here we describe a general view of tensor factorization for the compact representation of electronic wavefunctions. We use these ideas to construct low-complexity representations of the doubles amplitudes in local second order Møller-Plesset perturbation theory. We introduce two approximations - the direct orbital specific virtual approximation and the full orbital specific virtual
doi:10.1063/1.3528935
pmid:21280703
fatcat:zc6z5atwgjfcdcw5zh2xitdx44