**CPMFT**- Strong correlations via constrained-pairing mean-field theory, T. Tsuchimochi and G. E. Scuseria,
*J. Chem. Phys.***131**, 121102 (2009). [#359] - Constrained-Pairing Mean-Field Theory. II. Exact treatment of dissociations to non-degenerate orbitals, G. E. Scuseria and T. Tsuchimochi,
*J. Chem. Phys.***131**, 164119 (2009). [#364] - Constrained-Pairing Mean-Field Theory. III. Inclusion of Density Functional Exchange and Correlation Effects via Alternative Densities, T. Tsuchimochi, G. E. Scuseria, and A. Savin,
*J. Chem. Phys.***132**, 024111 (2010). [#366] - Constrained-Pairing Mean-Field Theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory, T. Tsuchimochi, T. M. Henderson, G. E. Scuseria, and A. Savin,
*J. Chem. Phys.*[arXiv:1007.2674] - ROHF theory made easy, T. Tsuchimochi and G. E. Scuseria,
*J. Chem. Phys.*[arXiv:1008.1607]

- Strong correlations via constrained-pairing mean-field theory, T. Tsuchimochi and G. E. Scuseria,
**RPA/SOSEX & CC Theory**- The ground state correlation energy of the Random Phase Approximation from a ring Coupled Cluster Doubles approach, G. E. Scuseria, T. M. Henderson, and D. C. Sorensen,
*J. Chem. Phys.***129**, 231101 (2008). [#344] - Long-range-corrected hybrids including random phase approximation correlation, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*J. Chem. Phys.***130**, 081105 (2009). [#347] - Long-range corrected hybrid functionals including random phase approximation correlation: Application to noncovalent interactions, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*J. Chem. Phys.***131**, 034110 (2009). [#356] - The role of the reference state in long-range random phase approximation correlation, B. G. Janesko and G. E. Scuseria,
*J. Chem. Phys.***131**, 154106 (2009). [#360] - Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals, B. G. Janesko and G. E. Scuseria,
*Phys. Chem. Chem. Phys.***11**, 9677-9686 (2009). [#363]

- The ground state correlation energy of the Random Phase Approximation from a ring Coupled Cluster Doubles approach, G. E. Scuseria, T. M. Henderson, and D. C. Sorensen,
**Recent Reviews**- Screened hybrid density functionals for solid-state chemistry and physics, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*Phys. Chem. Chem. Phys.***11**, 443-454 (2009). [#346]

- Screened hybrid density functionals for solid-state chemistry and physics, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
**Exchange-Correlation Functionals**- Local hybrid functionals, J. Jaramillo, M. Ernzerhof, and G. E. Scuseria, J. Chem. Phys.
**118**, 1068 (2003). - Hybrid functionals based on a screened Coulomb potential, J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys.
**118**, 8207 (2003). - Climbing the density-functional ladder: Nonempirical metageneralized gradient approximation designed for molecules and solids, J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett.
**91**, 146401 (2003). - Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional, S. N. Maximoff, M. Ernzerhof, and G. E. Scuseria, J. Chem. Phys.
**120**, 2105-2109 (2004). - Scaling down the Perdew-Zunger self-interaction correction in many-electron regions, O. A. Vydrov, G. E. Scuseria, J. P. Perdew, A. Ruzsinszky, and G. I. Csonka, J. Chem. Phys.
**124**, 094108 (2006). - Assessment of a long-range corrected hybrid functional, O. A. Vydrov and G. E. Scuseria, J. Chem. Phys.
**125**, 234109 (2006). - Screened hybrid density functionals for solid-state chemistry and physics, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*Phys. Chem. Chem. Phys.***11**, 443-454 (2009). [#346] - Long-range-corrected hybrids including random phase approximation correlation, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*J. Chem. Phys.***130**, 081105 (2009). [#347] - Local exchange potentials for electronic structure calculations, E. Cances, G. Stoltz, G. E. Scuseria, V. N. Staroverov, and E. R. Davidson,
*MathS in Action***2**, 1-42 (2009). [#348] - Long-range corrected hybrids based on a new model exchange hole, E. Weintraub, T. M. Henderson, and G. E. Scuseria,
*J. Chem. Theory Comp*.**5**, 754-762 (2009). [#349] - Regularized gradient expansion for atoms, molecules and solids, A. Ruzsinszky, G. I. Csonka, and G. E. Scuseria,
*J. Chem. Theory Comp.***5**, 763-769 (2009). [#350] - Locally range separated hybrids as linear combinations of local hybrids, T. M. Henderson, B. G. Janesko, G. E. Scuseria, and A. Savin,
*Int. J. Quantum Chem.***109**, 2023-2032 (2009). [#351] - Assessment of a density functional with full exact exchange and balanced nonlocality of correlation, C. A. Jimenez-Hoyos, B. G. Janesko, G. E. Scuseria, V. N. Staroverov, and J. P. Perdew,
*Mol. Phys*.**107**, 1077-1088 (2009) (Schaefer Issue). [#353] - Long-range corrected hybrid functionals including random phase approximation correlation: Application to noncovalent interactions, B. G. Janesko, T. M. Henderson, and G. E. Scuseria,
*J. Chem. Phys.***131**, 034110 (2009). [#356] - Can short-range hybrids describe long-range properties? T. M. Henderson, A. F. Izmaylov, G. Scalmani, and G. E. Scuseria,
*J. Chem. Phys.***131**, 044108 (2009). [#357] - Local hybrids as a perturbation to global hybrid functionals, R. Haunschild, B. G. Janesko, and G. E. Scuseria,
*J. Chem. Phys.***131**, 154112 (2009). [#361] - Evaluation of range-separated hybrid and other density functional approaches on test sets relevant for transition metal-based homogeneous catalysts, C. A. Jimenez-Hoyos, B. G. Janesko, and G. E. Scuseria,
*J. Phys. Chem*.**A 113**, 11742-11749 (2009) (Walter Thiel Festschrift). [#362] - Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals, B. G. Janesko and G. E. Scuseria,
*Phys. Chem. Chem. Phys.***11**, 9677-9686 (2009). [#363] - Hybrid functionals including random phase approximation correlation and second-order screened exchange, J. Paier, B. G. Janesko, T. M. Henderson, G. E. Scuseria, A. Grüneis, and G. Kresse,
*J. Chem. Phys.***132**, 094103 (2010). [#367] - Range-separated local hybrids, R. Haunschild and G. E. Scuseria,
*J. Chem. Phys.***132**, 224106 (2010). [#368]

- Local hybrid functionals, J. Jaramillo, M. Ernzerhof, and G. E. Scuseria, J. Chem. Phys.
**Linear Scaling Electronic Structure Methods**- Linear scaling electronic structure methods in chemistry and physics, S. Goedecker and G. E. Scuseria, Comp. Sci. Eng.
**5**, 14-21 (2003). - Achieving linear-scaling computational cost for the polarizable continuum model of solvation, G. Scalmani, V. Barone, K. N. Kudin, C. S. Pomelli, G. E. Scuseria, and M. J. Frisch, Theor. Chem. Acc.
**111**, 90 (2004). - Linear scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems, A. F. Izmaylov, E. N. Brothers, and G. E. Scuseria, J. Chem. Phys.
**125**, 224105 (2006).

- Linear scaling electronic structure methods in chemistry and physics, S. Goedecker and G. E. Scuseria, Comp. Sci. Eng.
**Gaussian-orbital Methods with Periodic Boundary Conditions**- Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions: Efficient Evaluation of Energy and Forces via the Fast Multipole Method, K. N. Kudin and G. E. Scuseria, Phys. Rev. B
**61**, 16440 (2000). - Atomic Orbital Laplace transformed second-order Moller-Plesset theory for periodic systems, P. Y. Ayala, K. N. Kudin, and G. E. Scuseria, J. Chem. Phys.
**115**, 9698 (2001). - A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems, O. V. Yazyev, E. N. Brothers, K. N. Kudin, and G. E. Scuseria, J. Chem. Phys.
**121**, 2466 (2004). - Efficient evaluation of short-range Hartree-Fock exchange in periodic systems and large molecules, A. Izmaylov, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys.
**125**, 104103 (2006).

- Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions: Efficient Evaluation of Energy and Forces via the Fast Multipole Method, K. N. Kudin and G. E. Scuseria, Phys. Rev. B
**Density Functional Theory (formalism and methodology)**- Optimized effective potentials yielding Hartree-Fock energies and densities, V. N. Staroverov, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys.
**124**, 141103 (2006). - Effective local potentials for orbital-dependent density functionals, V. N. Staroverov, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys.
**125**, 081104 (2006). - Noncollinear magnetism in density functional calculations, J. E. Peralta, G. E. Scuseria, and M. J. Frisch, Phys. Rev. B
**75**, 125119 (2007).

- Optimized effective potentials yielding Hartree-Fock energies and densities, V. N. Staroverov, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys.
**Relativistic Effects**- Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects, J. E. Peralta and G. E. Scuseria, J. Chem. Phys.
**120**, 5875 (2004). - Scalar relativistic all-electron density functional calculations on periodic systems, J. E. Peralta, J. Uddin, and G. E. Scuseria, J. Chem. Phys.
**122**, 084108 (2005). - Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation, J. I. Melo, M. C. Ruiz de Azua, J. E. Peralta, and G. E. Scuseria, J. Chem. Phys.
**123**, 204112 (2005).

- Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects, J. E. Peralta and G. E. Scuseria, J. Chem. Phys.
**NMR properties**- Basis set dependence of NMR spin-spin couplings in density functional theory calculations: First row and hydrogen atoms, J. E. Peralta, G. E. Scuseria, J. R. Cheeseman, and M. J. Frisch, Chem. Phys. Lett.
**375**, 452 (2003). - Assessment of density functionals for predicting one-bond carbon-hydrogen NMR spin-spin coupling constants, S. N. Maximoff, J. E. Peralta, V. Barone, and G. E. Scuseria, J. Chem. Theory Comput.
**1**, 541 (2005). - Theoretical Nitrogen NMR Chemical Shifts in Octahedral Boron Nitride Cages, V. Barone, A. Koller, and G. E. Scuseria, J. Phys. Chem. A
**110**, 10844 (2006).

- Basis set dependence of NMR spin-spin couplings in density functional theory calculations: First row and hydrogen atoms, J. E. Peralta, G. E. Scuseria, J. R. Cheeseman, and M. J. Frisch, Chem. Phys. Lett.
**Molecular Dynamics via Density Matrix Propagation (ADMP)**- Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals, H. B. Schlegel, J. M. Millam, S.S. Iyengar, G. A. Voth, A. D. Daniels, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys.
**114**, 9758 (2001). - Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. II. Generalizations based on Mass-weighting, Idempotency, Energy Conservation, and Choice of Initial Conditions, S. S. Iyengar, H. B. Schlegel, J. M. Millam, G. A. Voth, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys.
**115**, 10291 (2001). - Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born-Oppenheimer dynamics, H. B. Schlegel, S. S. Iyengar, X. Li, J. M. Millam, G. A. Voth, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys.
**117**, 8694 (2002). - Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. IV. Formal analysis of the deviations from Born-Oppenheimer dynamics, S. S. Iyengar, H. B. Schlegel, G. A. Voth, J. M. Millam, G. E. Scuseria, and M. J. Frisch, Israel J. Chem.
**42**, 191 (2002).

- Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals, H. B. Schlegel, J. M. Millam, S.S. Iyengar, G. A. Voth, A. D. Daniels, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys.
**Actinide Compounds**- Hybrid density functional theory and the insulating gap of UO
_{2}, K. N. Kudin, G. E. Scuseria, and R. L. Martin, Phys. Rev. Lett.**89**, 266402 (2002). - All-electron hybrid density functional calculations on UF
_{n}and UCl_{n}(n = 1-6), J. E. Peralta, E. R. Batista, G. E. Scuseria,and R. L. Martin, J. Chem. Theory Comput.**1**, 612 (2005). - Lattice defects and magnetic ordering in plutonium oxides: A hybrid density functional-theory study of strongly correlated materials, I. D. Prodan, J. A. Sordo, K. N. Kudin, G. E. Scuseria, and R. L. Martin, J. Chem. Phys.
**123**, 014703 (2005). - Assessment of metageneralized gradient approximation and screened Coulomb hybrid density functionals on bulk actinide oxides, I. D. Prodan, G. E. Scuseria, and R. L. Martin, Phys. Rev. B
**73**, 045104 (2006).

- Hybrid density functional theory and the insulating gap of UO
**Fullerenes**- Scratching the surface of Buckminsterfullerene: The barriers for Stone-Wales transformation through symmetric and asymmetric transition states, H. F. Bettinger, B. I. Yakobson, and G. E. Scuseria, J. Am. Chem. Soc.
**125**, 5572 (2003). - Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C
_{70}, J. E. Peralta, V. Barone, G. E. Scuseria, and R. H. Contreras, J. Am. Chem. Soc.**126**, 7428 (2004).

- Scratching the surface of Buckminsterfullerene: The barriers for Stone-Wales transformation through symmetric and asymmetric transition states, H. F. Bettinger, B. I. Yakobson, and G. E. Scuseria, J. Am. Chem. Soc.
**Carbon Nanotubes**- Thermochemistry of fluorinated single wall carbon nanotubes, H. F. Bettinger, K. N. Kudin, and G. E. Scuseria, J. Am. Chem. Soc.
**123**, 12849 (2001). - Interaction of atomic hydrogen with single-walled carbon nanotubes: A density functional theory study, V. Barone, J. Heyd, and G. E. Scuseria, J. Chem. Phys.
**120**, 7169 (2004). - Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: Beyond the local density approximation, V. Barone and G. E. Scuseria, J. Chem. Phys.
**121**, 10376 (2004). - Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes, V. Barone, J. E. Peralta, M. Wert, J. Heyd, and G. E. Scuseria, Nano Lett.
**5**, 1621 (2005). - Optical transitions in metallic single-walled carbon nanotubes, V. Barone, J. E. Peralta, and G. E. Scuseria, Nano Lett.
**5**, 1830 (2005). - Coaxial carbon nanotubes as shielded nanowires, E. N. Brothers, G. E. Scuseria, and K. N. Kudin, J. Chem. Phys.
**124**, 041101 (2006). - Longitudinal polarizability of carbon nanotubes, E. N. Brothers, G. E. Scuseria, and K. N. Kudin, J. Phys. Chem. B
**110**, 12860 (2006).

- Thermochemistry of fluorinated single wall carbon nanotubes, H. F. Bettinger, K. N. Kudin, and G. E. Scuseria, J. Am. Chem. Soc.
**Graphene Nanoribbons**- Electronic structure and stability of semiconducting graphene nanoribbons, V. Barone, O. Hod, and G. E. Scuseria, Nano Lett.
**6**, 2748 (2006). - Edge effects in finite elongated graphene nanoribbons, O. Hod, J. E. Peralta, and G. E. Scuseria,
*Phys. Rev.***B 76**, 233401 (2007). [#310] - Half-metallic grapheme nanodots: A comprehensive first-principles theoretical study, O. Hod, V. Barone, and G. E. Scuseria,
*Phys. Rev.***B 77**, 035411 (2008). [#313] - Half-metallic zigzag carbon nanotube dots, O. Hod and G. E. Scuseria,
*ACS Nano***2**, 2243-2249 (2008). [#340] - Electromechanical properties of suspended grapheme nanoribbons, O. Hod and G. E. Scuseria,
*Nano Lett.***9**, 2619-2622 (2009). [#355]

- Electronic structure and stability of semiconducting graphene nanoribbons, V. Barone, O. Hod, and G. E. Scuseria, Nano Lett.
**Surface-Enhanced Vibrational Spectroscopy**- Surface-enhanced Raman optical activity of molecules on orientationally averaged substrates: Theory of electromagnetic effects, B. G. Janesko and G. E. Scuseria, J. Chem. Phys.
**125**, 124704 (2006). - Chain-length-dependent vibrational resonances in alkanethiol self-assembled monolayers observed on plasmonic nanoparticle substrates, C. S. Levin, B. G. Janesko, R. Bardhan, G. E. Scuseria, J. D. Hartgerink, and N. J. Halas, Nano Letters
**6**, 2617 (2006).

- Surface-enhanced Raman optical activity of molecules on orientationally averaged substrates: Theory of electromagnetic effects, B. G. Janesko and G. E. Scuseria, J. Chem. Phys.