# Publications

{Laser-controlled dissociation of C2H2(2+): Ehrenfest dynamics using time-dependent density functional theory.}. The journal of physical chemistry. A, 113, 3463–3469. Abstract

(2009). {Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search}. Journal of Chemical Physics, 131. Abstract

(2009). {Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories}. Journal of Chemical Physics, 130. Abstract

(2009). {Singlet− Triplet Transitions in Real-Time Time-Dependent Hartree− Fock/Density Functional Theory}. Journal of Chemical Theory and Computation, 5, 2415–2419. Website Abstract

(2009). {Theoretical Characterization of Electronic Transitions in Co 2+ - and Mn 2+ -Doped ZnO Nanocrystals}. Journal of Physical Chemistry C, 113, 8710–8717. Abstract

(2009). {Frequency and solvent dependence of nonlinear optical properties of molecules}. Journal of Physical Chemistry C, 112, 8016–8021. Abstract

(2008). {Generation of multiple excitons in PbSe and CdSe quantum dots by direct photoexcitation: First-principles calculations on small PbSe and CdSe clusters}. Journal of Physical Chemistry C, 112, 18291–18294. Abstract

(2008). Internal Dynamics and Optical Rotations Predicted for O h - and O-Symmetric Cubanes. Organic Letters, 85–87.

(2008). {Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories}. Journal of Chemical Physics, 129. Abstract

(2008). {Optical rotation of achiral compounds}. Angewandte Chemie - International Edition, 47, 5706–5717. Abstract

(2008). {Comparison of static first hyperpolarizabilities calculated with various quantum mechanical methods}. Journal of Physical Chemistry A, 111, 1319–1327. Abstract

(2007). {Dispersive kinetics from single molecules oriented in single crystals of potassium acid phthalate}. Journal of Physical Chemistry C, 111, 9146–9156.

(2007). (2007).

{Time-dependent density functional theory Ehrenfest dynamics: Collisions between atomic oxygen and graphite clusters}. Journal of Chemical Physics, 126. Abstract

(2007). {Ab initio diradical/zwitterionic polarizabilities and hyperpolarizabilities in twisted double bonds}. Journal of Physical Chemistry A, 110, 7189–7196. Abstract

(2006). {Influence of isomerization on nonlinear optical properties of molecules}. Journal of Physical Chemistry B, 110, 13512–13522. Abstract

(2006). {Optical rotation of achiral pentaerythritol}. Journal of the American Chemical Society, 128, 14746–14747. Abstract

(2006). {Factors controlling the barriers to degenerate hydrogen atom transfers}. Journal of the American Chemical Society, 127, 5794–5795. Abstract

(2005). (2004).