Selected Publications
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S-Y Chung, S. Lee, C. Liu, and D. Neuhauser
"Structures and Electronic Spectra of CdSe-Cys Complexes: Density Functional Theory Study of a Simple Peptide-Coated Nanocluster",
J. Phys. Chem. B 113, 292 (2009)
[PDF∗, 2.7M] .
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K. Lopata and D. Neuhauser,
"Multiscale Maxwell-Schrodinger modeling: A split field finite-difference time-domain approach to molecular nanopolaritonics",
J. Chem. Phys. 130, 104707 (2009)
[PDF∗, 595K] .
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D. Neuhauser and K. Lopata,
"Quantum Drude friction for time-dependent density-functional theory",
J. Chem. Phys. 129, 134106 (2008)
[PDF∗, 673K] .
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D. Neuhauser and K. Lopata,
"Molecular nanopolaritonics: Cross manipulation of near-field plasmons and molecules. I. Theory and application to junction control",
J. Chem. Phys. 127, 154715 (2007)
[PDF∗, 346K] .
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K. Lopata, D. Neuhauser, and R. Baer,
"Curve crossing and negative refraction in simulations of near-field coupled metallic nanoparticle arrays",
J. Chem. Phys. 127, 154714 (2007)
[PDF∗, 1.1M] .
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I. V. Ovchinnikov, L. A. Bartell, and Daniel Neuhauser,
"Hydrodynamic tensor density functional theory with correct susceptibility",
J. Chem. Phys. 126, 134101 (2007)
[PDF∗, 175K] .
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R. Baer, K. Lopata, and D. Neuhauser,
"Properties of phase-coherent energy shuttling on the nanoscale",
J. Chem. Phys. 126, 014705 (2007)
[PDF∗, 1.8M] .
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C. Liu, J. Speyer, I. V. Ovchinnikov, and D. Neuhauser,
"Nonlinear signal mixing in a three-terminal molecular wire",
J. Chem. Phys. 126, 024705 (2007)
[PDF∗, 349K] .
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I. V. Ovchinnikov and Daniel Neuhauser,
"Orbital-free tensor density functional theory",
J. Chem. Phys. 124, 024105 (2006)
[PDF∗, 114K] .
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R. Baer and D. Neuhauser,
"Theoretical studies of molecular scale near-field electron dynamics",
J. Chem. Phys. 125, 074709 (2006)
[PDF∗, 367K] .
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J. L. Speyer, I. V. Ovchinnikov, D. Neuhauser, and D. Baugh
"Conductivity and gating of silicon ringchains"
J. Chem. Phys. 123, 124704 (2005)
[PDF∗, 245K] .
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R. Baer and D. Neuhauser,
"Density Functional Theory with Correct Long-Range Asymptotic Behavior"
Phys. Rev. Lett. 94, 043002 (2005)
[PDF∗, 97K] .
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I. V. Ovchinnikov and Daniel Neuhauser,
"Spintronics birefringence with an extended molecular loop-wire or spiral coupling"
J. Chem. Phys. 123, 204714 (2005)
[PDF∗, 100K] .