Multi-component symmetry-projected approach for molecular ground state correlations

Capturing static and dynamic correlations by a combination of projected Hartree-Fock and density functional theories

(2013) Alejandro J. Garza et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting Singlet–Triplet Energy Splittings with Projected Hartree–Fock Methods

(2013) Pablo Rivero et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Entanglement and Polyradical Character of Polycyclic Aromatic Hydrocarbons Predicted by Projected Hartree–Fock Theory

(2013) Pablo Rivero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multireference symmetry-projected variational approaches for ground and excited states of the one-dimensional Hubbard model

(2013) R. Rodríguez-Guzmán et al.   PHYSICAL REVIEW B

Projected Hartree–Fock theory

(2012) Carlos A. Jiménez-Hoyos et al.   JOURNAL OF CHEMICAL PHYSICS

Exploring Copper Oxide Cores Using the Projected Hartree–Fock Method

(2012) Kousik Samanta et al.   Journal of Chemical Theory and Computation

N-electron Slater determinants from nonunitary canonical transformations of fermion operators

(2012) Carlos A. Jiménez-Hoyos et al.   PHYSICAL REVIEW A

Symmetry-projected variational approach for ground and excited states of the two-dimensional Hubbard model

(2012) R. Rodríguez-Guzmán et al.   PHYSICAL REVIEW B

Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu2O2)2+Core Revisited

(2011) Dimitrios G. Liakos et al.   Journal of Chemical Theory and Computation

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

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

Quantum Fluctuations due to Spinons, Polarons, and Stripes in the Two-Dimensional Hubbard Model

(2009) Norikazu Tomita et al.   PHYSICAL REVIEW LETTERS

The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems

(2008) Per Åke Malmqvist et al.   JOURNAL OF CHEMICAL PHYSICS