Investigation of metal–insulator-like transition through theab initiodensity matrix renormalization group approach

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   COMPUTER PHYSICS COMMUNICATIONS

The density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   EUROPEAN PHYSICAL JOURNAL D

Electron correlations and two-photon states in polycyclic aromatic hydrocarbon molecules: A peculiar role of geometry

(2014) Karan Aryanpour et al.   JOURNAL OF CHEMICAL PHYSICS

Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations

(2014) Karan Aryanpour et al.   Journal of Physical Chemistry C

Linear and nonlinear optical properties of indeno[2,1-b]fluorene and its structural isomers

(2014) Simil Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculations

(2013) Yingjin Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital Entanglement in Bond-Formation Processes

(2013) Katharina Boguslawski et al.   Journal of Chemical Theory and Computation

Multireference electron correlation methods with density matrix renormalisation group reference functions

(2013) Yuki Kurashige   MOLECULAR PHYSICS

Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II

(2013) Yuki Kurashige et al.   Nature Chemistry

Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO

(2013) Paweł Tecmer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Excited states in polydiacetylene chains: A density matrix renormalization group study

(2013) Gergely Barcza et al.   PHYSICAL REVIEW B

Entanglement Measures for Single- and Multireference Correlation Effects

(2012) Katharina Boguslawski et al.   Journal of Physical Chemistry Letters

Exact entanglement studies of strongly correlated systems: role of long-range interactions and symmetries of the system

(2012) Shaon Sahoo et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The Density Matrix Renormalization Group in Quantum Chemistry

(2011) Garnet Kin-Lic Chan et al.   Annual Review of Physical Chemistry

On the importance of orbital localization in QC-DMRG calculations

(2011) Alexander O. Mitrushchenkov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Quantum-information analysis of electronic states of different molecular structures

(2011) G. Barcza et al.   PHYSICAL REVIEW A

Optimizing Hartree-Fock orbitals by the density-matrix renormalization group

(2010) H.-G. Luo et al.   PHYSICAL REVIEW B

The Density Matrix Renormalization Group Algorithm in Quantum Chemistry

(2010) Konrad Heinrich Marti et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Quantum information analysis of the phase diagram of the half-filled extended Hubbard model

(2009) C. Mund et al.   PHYSICAL REVIEW B

Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene

(2008) Debashree Ghosh et al.   JOURNAL OF CHEMICAL PHYSICS