Die u:cris Detailansicht:
T3NS: Three-Legged Tree Tensor Network States
- Autor(en)
- Klaas Gunst, Frank Verstraete, Sebastian Wouters, Ors Legeza, Dimitri Van Neck
- Abstrakt
We present a new variational tree tensor network state (TTNS) ansatz, the three-legged tree tensor network state (T3NS). Physical tensors are interspersed with branching tensors. Physical tensors have one physical index and at most two virtual indices, as in the matrix product state (MPS) ansatz of the density matrix renormalization group (DMRG). Branching tensors have no physical index, but up to three virtual indices. In this way, advantages of DMRG, in particular a low computational cost and a simple implementation of symmetries, are combined with advantages of TTNS, namely incorporating more entanglement. Our code is capable of simulating quantum chemical Hamiltonians, and we present several proof-of-principle calculations on LiF, N
2, and the bis(μ-oxo) and μ-η
2:η
2 peroxo isomers of [Cu
2O
2]
2+.
- Organisation(en)
- Quantenoptik, Quantennanophysik und Quanteninformation
- Externe Organisation(en)
- Ghent University , Brantsandpatents BV, Magyar Tudományos Akadémia, Vienna Center for Quantum Science and Technology (VCQ)
- Journal
- Journal of Chemical Theory and Computation
- Band
- 14
- Seiten
- 2026-2033
- Anzahl der Seiten
- 8
- ISSN
- 1549-9618
- DOI
- https://doi.org/10.1021/acs.jctc.8b00098
- Publikationsdatum
- 04-2018
- Peer-reviewed
- Ja
- ÖFOS 2012
- 103015 Kondensierte Materie, 103006 Chemische Physik
- Schlagwörter
- ASJC Scopus Sachgebiete
- Computer Science Applications, Physical and Theoretical Chemistry
- Link zum Portal
- https://ucrisportal.univie.ac.at/de/publications/f1379bab-f19c-4019-ac15-7e600198f2de