Analytic energy gradient for the projected Hartree–Fock method

Symmetry-projected wave functions in quantum Monte Carlo calculations

(2014) Hao Shi et al.   PHYSICAL REVIEW B

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration

(2013) Yao Cui et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2013) Carlos A. Jiménez-Hoyos 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

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

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

Projected quasiparticle theory for molecular electronic structure

(2011) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Generalized Hartree–Fock Description of Molecular Dissociation

(2011) Carlos A. Jiménez-Hoyos et al.   Journal of Chemical Theory and Computation

Semiempirical UNO–CAS and UNO–CI: Method and Applications in Nanoelectronics

(2011) Pavlo O. Dral et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Force field of para- and metabenzyne diradicals: A multireference coupled-cluster study

(2010) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison between the performances of the spin-projected Hartree-Fock, generalized valence-bond, and spin-coupled approaches

(2009) Peter B. Karadakov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods

(2008) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS