# Research

Quantum interference in polycyclic hydrocarbon molecular wires. Chem. Phys. 2004, 299, 139–145.Abstract walter2004.pdf

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

Time-dependent exchange-correlation current density functionals with memory. J. Chem. Phys. 2004, 121, 8731–8741.Abstract kurzweil2004.pdf

Electrical or Photocontrol of the Rotary Motion of a Metallacarborane. Science 2004, 303, 1849–1851.Abstract hawthorne2004.pdf

Feasible nanometric magnetoresistance devices. The Journal of Physical Chemistry B 2004, 108, 14807–14810. hod2004.pdf

Rotational Aspects of short-pulse population transfer in diatomic molecules. Chem. Phys. Lett. 2004, 392, 23.Abstract kallush2004.pdf

The well-tempered auxiliary-field Monte Carlo. The Journal of chemical physics 2004, 120, 43–50.Abstract jacobi2004well.pdf

A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire. Chem. Phys. Lett. 2004, 393, 367–371.Abstract collepardo-guevara2004.pdf

Ab initio study of the alternating current impedance of a molecular junction. J. Chem. Phys. 2004, 120, 3387–3396.Abstract baer2004c.pdf

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

Real-time linear response for time-dependent density-functional theory. J. Chem. Phys. 2004, 121, 9803–9807.Abstract baer2004b.pdf

Real-time study of the adiabatic energy loss in an atomic collision with a metal cluster. The Journal of chemical physics 2004, 121, 6341–6345. baer2004d.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

Molecular recognition and conductance in crown ethers. J. Am. Chem. Soc. 2003, 125, 13936–13937. liu2003.pdf

Quantum soliton dynamics in vibrational chains: Comparison of fully correlated, mean field, and classical dynamics. J. Chem. Phys. 2003, 118, 5729–5735.Abstract neuhauser2003a.pdf

A two-grid time-dependent formalism for the Maxwell equation. Journal of Theoretical & Computational Chemistry 2003, 2 537–546. neuhauser2003.pdf

Ab initio electrical conductance of a molecular wire. Int. J. Quantum Chem. 2003, 91, 524–532. baer2003c.pdf

Ionization and high-harmonic generation in aligned benzene by intense circularly polarized light. Phys. Rev. A 2003, 68, 043406. baer2003e.pdf