Joseph Subotnik

Research Group Website: http://www.joesubotnik.com/

Jump to: Selected Publications

Selected Publications
14. Subotnik, Cave, Steele and Shenvi. The Initial and Final States of Electron and Energy Transfer Processes: Diabatic States as Motivated by System-Solvent Interactions (submitted to JCP)

13. Subotnik, Hansen, Ratner and Nitzan. Nonequilibrium Steady State Transport via the Reduced Density Matrix

12. Subotnik, Yeganeh, Cave and Ratner. Constructing Diabatic States from Adiabatic States: Extending Generalized Mulliken Hush to Multiple Charge Centers with Boys Localization J. Chem. Phys. 129, 244101 (2008)

11. Subotnik and Nitzan. Multibody Scattering, Correlation, Molecular Conduction and the 0.7 Anomaly J. Chem. Phys. 129, 14407 (2008)

10. Subotnik and Head-Gordon. Exploring The Accuracy of Relative Molecular Energies With Local Correlation Theory [invited paper for J. Phys. : Condensed Matter 20, 294211 (2008)].

9. Subotnik, Sodt and Head-Gordon. The Limits of Local Correlation Theory: Electronic Delocalization and Chemically Smooth Potential Energy Surfaces. J. Chem. Phys. 128, 034103 (2008)

8. Subotnik, Sodt and Head-Gordon. Localized Orbital Theory and Ammonia Triborane.
PCCP, 9, 5522 (2007)

7. Sodt, Subotnik and Head-Gordon. Linear scaling density fitting.
J. Chem. Phys. 125, 194109 (2006)

6. Advances in methods and algorithms in a modern quantum chemistry program package.
Y. Shao et al. Phys. Chem. Chem. Phys., 8, 3172 - 3191 (2006)

5. Subotnik, Sodt, Head-Gordon. A Near Linear Scaling Smooth Coupled Cluster Algorithm For Electronic Structure. J. Chem. Phys. 125, 074116 (2006)

4. Subotnik, Dutoi and Head-Gordon. Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. J. Chem. Phys. 123, 114108 (2005)

3. Subotnik, Head-Gordon. A local correlation model that yields intrinsically smooth potential
energy surfaces. J. Chem. Phys. 123, 064108 (2005)

2. Subotnik, Head-Gordon. A localized basis that allows fast and accurate second order MP2 calculations. J. Chem. Phys. 122, 034109 (2005)

1. Subotnik, Shao, Liang, Head-Gordon. An Efficient method for Calculating Maxima of Homogeneous Functions of Orthogonal Matrices: Applications to Localized Orbitals.
J. Chem. Phys. 121, 9220 (2004)