Fermionic Orbital Optimization in Tensor Network States
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F16%3A00465777" target="_blank" >RIV/61388955:_____/16:00465777 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/physrevlett.117.210402" target="_blank" >http://dx.doi.org/10.1103/physrevlett.117.210402</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/physrevlett.117.210402" target="_blank" >10.1103/physrevlett.117.210402</a>
Alternative languages
Result language
angličtina
Original language name
Fermionic Orbital Optimization in Tensor Network States
Original language description
Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating ground states of strongly correlated spin models. Recently, they have also been applied to interacting fermionic problems, specifically in the context of quantum chemistry. A new freedom arising in such nonlocal fermionic systems is the choice of orbitals, it being far from clear what choice of fermionic orbitals to make. In this Letter, we propose a way to overcome this challenge. We suggest a method intertwining the optimization over matrix product states with suitable fermionic Gaussian mode transformations. The described algorithm generalizes basis changes in the spirit of the Hartree-Fock method to matrix-product states, and provides a black box tool for basis optimization in tensor network methods.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/GA16-12052S" target="_blank" >GA16-12052S: DMRG-based externally corrected multireference coupled cluster methods</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review Letters
ISSN
0031-9007
e-ISSN
—
Volume of the periodical
117
Issue of the periodical within the volume
21
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
—
UT code for WoS article
000388284000001
EID of the result in the Scopus database
2-s2.0-84995948251