Communication: Four-component density matrix renormalization group

Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms

(2013) Inkoo Kim et al.   JOURNAL OF CHEMICAL PHYSICS

A fully variational spin-orbit coupled complete active space self-consistent field approach: Application to electron paramagnetic resonance g-tensors

(2013) Dmitry Ganyushin et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital Entanglement in Bond-Formation Processes

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

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

Perspective: Relativistic effects

(2012) Jochen Autschbach   JOURNAL OF CHEMICAL PHYSICS

Entanglement Measures for Single- and Multireference Correlation Effects

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

Dimerized phase in the cross-coupled antiferromagnetic spin ladder

(2012) G. Barcza et al.   PHYSICAL REVIEW B

Core correlating basis functions for elements 31–118

(2012) Kenneth G. Dyall   THEORETICAL CHEMISTRY ACCOUNTS

The Density Matrix Renormalization Group in Quantum Chemistry

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

Invited review: Relativistic wave-function based electron correlation methods

(2011) Timo Fleig   CHEMICAL PHYSICS

Relativistic Hamiltonians for Chemistry: A Primer

(2011) Trond Saue   CHEMPHYSCHEM

Relativistic general-order coupled-cluster method for high-precision calculations: Application to the Al+atomic clock

(2011) Mihály Kállay et al.   PHYSICAL REVIEW A

Quantum-information analysis of electronic states of different molecular structures

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

Multiconfiguration second-order perturbation theory approach to strong electron correlation in chemistry and photochemistry

(2011) Daniel Roca-Sanjuán et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Spin-orbit coupling and intersystem crossing in molecules

(2011) Christel M. Marian   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

(2010) Ulrich Schollwöck   ANNALS OF PHYSICS

Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH

(2010) Stefan Knecht et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method

(2010) Dmitri G. Fedorov et al.   JOURNAL OF CHEMICAL PHYSICS

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