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Schutski, Roman, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2014) Analytic energy gradient for the projected Hartree–Fock method. The Journal of Chemical Physics, 140 (20). 204101pp. doi:10.1063/1.4876490

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Reference TypeJournal (article/letter/editorial)
TitleAnalytic energy gradient for the projected Hartree–Fock method
JournalThe Journal of Chemical Physics
AuthorsSchutski, RomanAuthor
Jiménez-Hoyos, Carlos A.Author
Scuseria, Gustavo E.Author
Year2014 (May 28)Volume140
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.4876490Search in ResearchGate
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Mindat Ref. ID2368644Long-form Identifiermindat:1:5:2368644:1
GUID0
Full ReferenceSchutski, Roman, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2014) Analytic energy gradient for the projected Hartree–Fock method. The Journal of Chemical Physics, 140 (20). 204101pp. doi:10.1063/1.4876490
Plain TextSchutski, Roman, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2014) Analytic energy gradient for the projected Hartree–Fock method. The Journal of Chemical Physics, 140 (20). 204101pp. doi:10.1063/1.4876490
In(2014, May) The Journal of Chemical Physics Vol. 140 (20) AIP Publishing

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Jiménez-Hoyos, Carlos A., Henderson, Thomas M., Tsuchimochi, Takashi, Scuseria, Gustavo E. (2012) Projected Hartree–Fock theory. The Journal of Chemical Physics, 136 (16). 164109pp. doi:10.1063/1.4705280
Garza, Alejandro J., Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2014) Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories. The Journal of Chemical Physics, 140 (24). 244102pp. doi:10.1063/1.4883491
Bytautas, Laimutis, Jiménez-Hoyos, Carlos A., Rodríguez-Guzmán, R., Scuseria, Gustavo E. (2014) Potential energy curves for Mo2: multi-component symmetry-projected Hartree–Fock and beyond. Molecular Physics, 112. 1938-1946 doi:10.1080/00268976.2013.874623
Jiménez-Hoyos, Carlos A., Rodríguez-Guzmán, R., Scuseria, Gustavo E. (2013) Excited electronic states from a variational approach based on symmetry-projected Hartree–Fock configurations. The Journal of Chemical Physics, 139 (22). 224110pp. doi:10.1063/1.4840097
Rivero, Pablo, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2013) Predicting Singlet–Triplet Energy Splittings with Projected Hartree–Fock Methods. The Journal of Physical Chemistry A, 117 (33). 8073-8080 doi:10.1021/jp405755z
Garza, Alejandro J., Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2013) Capturing static and dynamic correlations by a combination of projected Hartree-Fock and density functional theories. The Journal of Chemical Physics, 138 (13). 134102pp. doi:10.1063/1.4796545
Jiménez-Hoyos, Carlos A., Rodríguez-Guzmán, R., Scuseria, Gustavo E. (2013) Multi-component symmetry-projected approach for molecular ground state correlations. The Journal of Chemical Physics, 139 (20). 204102pp. doi:10.1063/1.4832476
Rivero, Pablo, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2013) Entanglement and Polyradical Character of Polycyclic Aromatic Hydrocarbons Predicted by Projected Hartree–Fock Theory. The Journal of Physical Chemistry B, 117 (42). 12750-12758 doi:10.1021/jp401478v
Cui, Yao, Bulik, Ireneusz W., Jiménez-Hoyos, Carlos A., Henderson, Thomas M., Scuseria, Gustavo E. (2013) Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration. The Journal of Chemical Physics, 139 (15). 154107pp. doi:10.1063/1.4824905
Stein, Tamar, Jiménez-Hoyos, Carlos A., Scuseria, Gustavo E. (2014) Stability of Hemi-Bonded vs Proton-Transferred Structures of (H2O)2+, (H2S)2+, and (H2Se)2+ Studied with Projected Hartree–Fock Methods. The Journal of Physical Chemistry A, 118 (35). 7261-7266 doi:10.1021/jp410713d
Rodríguez-Guzmán, R., Jiménez-Hoyos, Carlos A., Schutski, R., Scuseria, Gustavo E. (2013) Multireference symmetry-projected variational approaches for ground and excited states of the one-dimensional Hubbard model. Physical Review B, 87 (23) doi:10.1103/physrevb.87.235129
 
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