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- W125502995 abstract "A new direct full variational approach exploits a tensor (Kronecker) product decompositions of the Hamiltonian. Explicit assembly and storage of the Hamiltonian matrix is avoided by using the Kronecker product structure to form matrix-vector products directly from the molecular integrals. Computation-intensive integral transformations and formula tapes are unnecessary. The wave function is expanded in terms of spin-free primitive sets rather than Slater determinants or configuration state functions and is equivalent to a full configuration interaction expansion. The approach suggests compact storage schemes and algorithms which are naturally suited to parallel and pipelined machines." @default.
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- W125502995 date "1989-01-01" @default.
- W125502995 modified "2023-09-24" @default.
- W125502995 title "An Alternative to Full Configuration Interaction Based on a Tensor Product Decomposition" @default.
- W125502995 hasPublicationYear "1989" @default.
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