Preprint
High-accuracy ab-initio quantum chemistry by means of an SU(2) x U(1) invariant matrix product state Ansatz: the static second hyperpolarizability
Abstract
We have implemented the single-site density matrix renormalization group
algorithm for the variational optimization of SU(2) \times U(1) (spin and
Authors
Wouters S; Limacher PA; Van Neck D; Ayers PW
Publication date
November 24, 2011
DOI
10.48550/arxiv.1111.5701
Preprint server
arXiv