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02/19/2021
Finite-size effects in response functions of molecular systems
We consider an electron in a localized potential submitted to a weak ext...
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02/28/2020
Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations
This paper deals with a general class of algorithms for the solution of ...
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02/18/2020
Inversion symmetry of singular values and a new orbital ordering method in tensor train approximations for quantum chemistry
The tensor train approximation of electronic wave functions lies at the ...
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02/02/2020