Reference electronic structure calculations in one dimension

The Density Matrix Renormalization Group in Quantum Chemistry

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

Feasibility of approximating spatial and local entanglement in long-range interacting systems using the extended Hubbard model

(2011) J. P. Coe et al.   EPL

The two faces of static correlation

(2011) Joshua W. Hollett et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Avoiding unbound anions in density functional calculations

(2011) Min-Cheol Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Facile Bismuth−Oxygen Bond Cleavage, C−H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2−

(2011) Ian J. Casely et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

(2011) N. Helbig et al.   PHYSICAL REVIEW A

Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids

(2011) Xiao Zheng et al.   PHYSICAL REVIEW LETTERS

Finding electron affinities with approximate density functionals

(2010) Donghyung Lee et al.   MOLECULAR PHYSICS

Matrix product operator representations

(2010) B Pirvu et al.   NEW JOURNAL OF PHYSICS

Partition density-functional theory

(2010) Peter Elliott et al.   PHYSICAL REVIEW A

Exact Kohn–Sham potential of strongly correlated finite systems

(2009) N. Helbig et al.   JOURNAL OF CHEMICAL PHYSICS

Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems

(2009) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Semiclassical Origins of Density Functionals

(2008) Peter Elliott et al.   PHYSICAL REVIEW LETTERS

Adiabatic Approximation in Nonperturbative Time-Dependent Density-Functional Theory

(2008) M. Thiele et al.   PHYSICAL REVIEW LETTERS

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE