4.7 Article

DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Quasi-degenerate perturbation theory using matrix product states

Sandeep Sharma et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Spin-adapted matrix product states and operators

Sebastian Keller et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods

Jacob Fosso-Tande et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Physical

Automated Selection of Active Orbital Spaces

Christopher J. Stein et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Computer Science, Interdisciplinary Applications

CHEMPS2: Improved DMRG-SCF routine and correlation functions

Sebastian Wouters et al.

COMPUTER PHYSICS COMMUNICATIONS (2015)

Article Chemistry, Physical

An efficient matrix product operator representation of the quantum chemical Hamiltonian

Sebastian Keller et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states

Sandeep Sharma et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Selection of active spaces for multiconfigurational wavefunctions

Sebastian Keller et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Computer Science, Interdisciplinary Applications

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

Sebastian Wouters et al.

COMPUTER PHYSICS COMMUNICATIONS (2014)

Review Optics

The density matrix renormalization group for ab initio quantum chemistry

Sebastian Wouters et al.

EUROPEAN PHYSICAL JOURNAL D (2014)

Article Chemistry, Physical

Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)

Sebastian Wouters et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

The multifacet graphically contracted function method. I. Formulation and implementation

Ron Shepard et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations

Jakub Chalupsky et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Chemistry, Multidisciplinary

Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics

Sandeep Sharma et al.

NATURE CHEMISTRY (2014)

Article Chemistry, Multidisciplinary

Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II

Yuki Kurashige et al.

NATURE CHEMISTRY (2013)

Article Materials Science, Multidisciplinary

Real-space parallel density matrix renormalization group

E. M. Stoudenmire et al.

PHYSICAL REVIEW B (2013)

Article Chemistry, Physical

Spin-adapted density matrix renormalization group algorithms for quantum chemistry

Sandeep Sharma et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition

Takeshi Yanai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Multidisciplinary

PSI4: an open-source ab initio electronic structure program

Justin M. Turney et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

On the effect of electron correlation on the static second hyperpolarizability of π conjugated oligomer chains

Peter A. Limacher et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Materials Science, Multidisciplinary

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

H. -G. Luo et al.

PHYSICAL REVIEW B (2010)

Article Chemistry, Physical

Accelerating Convergence in Iterative Solution for Large-Scale Complete Active Space Self-Consistent-Field Calculations

Takeshi Yanai et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)

Article Chemistry, Physical

Electron correlation effects on the nonlinear optical properties of conjugated polyenes

Qingxu Li et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Chemistry, Physical

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

Dominika Zgid et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

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

Dominika Zgid et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

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

Debashree Ghosh et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Materials Science, Multidisciplinary

Density matrix numerical renormalization group for non-Abelian symmetries

A. I. Toth et al.

PHYSICAL REVIEW B (2008)

Article Mechanics

An area law for one-dimensional quantum systems

M. B. Hastings

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT (2007)

Article Physics, Nuclear

Density matrix renormalization group and the nuclear shell model

S Pittel et al.

PHYSICAL REVIEW C (2006)

Article Chemistry, Physical

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method

Muneaki Kamiya et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

An algorithm for large scale density matrix renormalization group calculations

GKL Chan

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Accurate polymer polarizabilities with exact exchange density-functional theory

P Mori-Sanchez et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Physics, Multidisciplinary

The non-Abelian density matrix renormalization group algorithm

IP McCulloch et al.

EUROPHYSICS LETTERS (2002)

Article Chemistry, Physical

Quantum chemistry using the density matrix renormalization group

AO Mitrushenkov et al.

JOURNAL OF CHEMICAL PHYSICS (2001)