Density matrix renormalization group (DMRG) method as a common tool for large active-space CASSCF/CASPT2 calculations

Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study

(2016) Quan Manh Phung et al.   Journal of Chemical Theory and Computation

N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p-Phenylenevinylene)

(2016) Sheng Guo et al.   Journal of Chemical Theory and Computation

The ab-initio density matrix renormalization group in practice

(2015) Roberto Olivares-Amaya et al.   JOURNAL OF CHEMICAL PHYSICS

Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes

(2015) Weifeng Hu et al.   Journal of Chemical Theory and Computation

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

(2015) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states

(2014) Naoki Nakatani et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function

(2013) Masaaki Saitow et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran

(2013) Fengyi Liu et al.   Journal of Chemical Theory and Computation

Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations

(2012) Sebastian Wouters et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted density matrix renormalization group algorithms for quantum chemistry

(2012) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

The Density Matrix Renormalization Group in Quantum Chemistry

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

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer

(2011) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

The density-matrix renormalization group in the age of matrix product states

(2010) Ulrich Schollwöck   ANNALS OF PHYSICS

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

(2010) Takeshi Yanai et al.   JOURNAL OF CHEMICAL PHYSICS

Spinfree formulation of reduced density matrices, density cumulants and generalised normal ordering

(2010) Werner Kutzelnigg et al.   MOLECULAR PHYSICS

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

High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

(2009) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic response theory for the density matrix renormalization group

(2009) Jonathan J. Dorando et al.   JOURNAL OF CHEMICAL PHYSICS

A study of cumulant approximations to n-electron valence multireference perturbation theory

(2009) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS

Matrix product states, projected entangled pair states, and variational renormalization group methods for quantum spin systems

(2008) F. Verstraete et al.   ADVANCES IN PHYSICS

On the spin and symmetry adaptation of the density matrix renormalization group method

(2008) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS

Obtaining the two-body density matrix in the density matrix renormalization group method

(2008) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space

(2008) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS