# Quantum Chemistry

Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems. J. Chem. Theory Comput. 2013, 9 24–27.Abstract neuhauser2013.pdf

Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions. J. Phys. Chem. Lett. 2013, 4 1172–1176.Abstract neuhauser2013a.pdf

A Guided Stochastic Energy-Domain Formulation of the Second Order Møller–Plesset Perturbation Theory. J. Phys. Chem. Lett. 2013, 5 185–189.Abstract ge2013.pdf

Expeditious stochastic calculation of multiexciton generation rates in semiconductor nanocrystals. Nano Lett. 2012, 12, 2123–2128.Abstract baer2012expeditious.pdf

Communication: Tailoring the optical gap in light-harvesting molecules. J. Chem. Phys. 2011, 134, 151101.Abstract karolewski2011.pdf

Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method. Phys. Rev. Lett. 2010, 105, 266802.Abstract stein2010.pdf

Theory of multiexciton generation in semiconductor nanocrystals. Chem. Phys. Lett. 2010, 496, 227–235.Abstract rabani2010.pdf

Can Impact Excitation Explain Efficient Carrier Multiplication in Carbon Nanotube Photodiodes?. Nano Lett. 2010, 10, 3277–3282.Abstract baer2010b.pdf

Deleterious Effects of Long-Range Self-Repulsion on the Density Functional Description of O-2 Sticking on Aluminum. J. Phys. Chem. A 2009, 113, 7521–7527. Publisher's VersionAbstract livshits2009.pdf

A new generalized Kohn-Sham method for fundamental band-gaps in solids. Phys. Chem. Chem. Phys. 2009, 11, 4674–4680. Publisher's VersionAbstract eisenberg2009.pdf

A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation. J. Phys. Chem. A 2008, 112, 12789–12791. Publisher's VersionAbstract livshits2008.pdf

Quantum memory effects on the dynamics of electrons in gold clusters. Physical Review B (Condensed Matter and Materials Physics) 2006, 73, 075413.Abstract kurzweil2006.pdf

Efficient linear-response method circumventing the exchange-correlation kernel: Theory for molecular conductance under finite bias. The Journal of chemical physics 2005, 123, 204105.Abstract neuhauser2005efficient.pdf

Generic Galilean-invariant exchange-correlation functionals with quantum memory. Phys. Rev. B 2005, 72, 035106.Abstract kurzweil2005.pdf

Variational grand-canonical electronic structure method for open systems. J. Chem. Phys. 2005, 123, 044112.Abstract jacobi2005.pdf

A density functional theory with correct long-range asymptotic behavior. Phys. Rev. Lett. 2005, 94, 043002.Abstract baer2005a.pdf

Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials. J. Comput. Phys. 2004, 194, 575–587. liang2004fast.pdf

Enhanced absorption induced by a metallic nanoshell. Nano Lett. 2004, 4 85–88.Abstract baer2004a.pdf

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks. J. Comput. Chem. 2003, 24, 618–622. saravanan2003sparse.pdf

Computing energy levels by inversion of imaginary-time cross-correlation functions. J. Phys. Chem. A 2003, 107, 7175–7180. luchow2003computing.pdf