Simulating the full spin manifold of triplet‐pair states in a series of covalently linked TIPS‐pentacenes
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DOI: 10.1002/jcc.27475
Abstract: Combined density functional theory and multireference configuration interaction methods have been used to elucidate singlet fission (SF) pathways and mechanisms in three regioisomers of side‐on linked pentacene dimers. In addition to the optically bright singlets… read more here.
Keywords: pair states; triplet pair; spin manifold; full spin ... See more keywords
Simulation of ring-exchange models with projected entangled pair states
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DOI: 10.1103/physrevb.105.024417
Abstract: Algorithms to simulate the ring-exchange models using the projected entangled pair states (PEPS) are developed. We generalize the imaginary time evolution (ITE) method to optimize PEPS wave functions for the models with ring-exchange interactions. We… read more here.
Keywords: exchange; pair states; projected entangled; entangled pair ... See more keywords
Spectral functions with infinite projected entangled-pair states
Sign Up to like & getrecommendations! Published in 2024 at "Physical Review B"
DOI: 10.1103/physrevb.110.094314
Abstract: Infinite projected entangled-pair states (iPEPS) provide a powerful tool to study two-dimensional strongly correlated systems directly in the thermodynamic limit. In this work, we extend the iPEPS toolbox by a method to efficiently evaluate non-equal… read more here.
Keywords: pair states; entangled pair; infinite projected; spectral functions ... See more keywords
Finite-size scaling on the torus with periodic projected entangled-pair states
Sign Up to like & getrecommendations! Published in 2024 at "Physical Review B"
DOI: 10.1103/physrevb.111.165124
Abstract: An efficient algorithm is constructed for contracting two-dimensional tensor networks under periodic boundary conditions. The central ingredient is a novel renormalization step that scales linearly with system size, i.e. from $L \to L+1$. The numerical… read more here.
Keywords: pair states; size; entangled pair; finite size ... See more keywords
Infinite matrix product states versus infinite projected entangled-pair states on the cylinder: A comparative study
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DOI: 10.1103/physrevb.96.115113
Abstract: In spite of their intrinsic one-dimensional nature, matrix product states have been systematically used to obtain remarkably accurate results for two-dimensional systems. Motivated by basic entropic arguments favoring projected entangled-pair states as the method of… read more here.
Keywords: pair states; entangled pair; matrix product; projected entangled ... See more keywords
Projected entangled pair states with continuous virtual symmetries
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DOI: 10.1103/physrevb.98.115120
Abstract: We study Projected Entangled Pair States (PEPS) with continuous virtual symmetries, i.e., symmetries in the virtual degrees of freedom, through an elementary class of models with SU(2) symmetry. Discrete symmetries of that kind have previously… read more here.
Keywords: pair states; entangled pair; continuous virtual; projected entangled ... See more keywords
Simulating Chiral Spin Liquids with Projected Entangled-Pair States.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.129.177201
Abstract: Doubts have been raised on the representation of chiral spin liquids exhibiting topological order in terms of projected entangled pair states (PEPSs). Here, starting from a simple spin-1/2 chiral frustrated Heisenberg model, we show that… read more here.
Keywords: projected entangled; pair states; spin; entangled pair ... See more keywords