Chemistry Reference
In-Depth Information
151. N. G. van Kampen, Stochastic Processes in Physics and Chemistry , rev. ed., Elsevier,
Amsterdam, 1992.
152. M. Lundstrom, Fundamentals of Carrier Transport , 2nd ed., Cambridge University Press,
Cambridge, UK, 2000.
153. Y. H. Cheng, J. K. Suen, D. Q. Zhang, S. D. Bond, Y. J. Zhang, Y. H. Song, N. A. Baker, C. L.
Bajaj, M. J. Holst, and J. A. McCammon, Biophys. J. , 92 , 3397-3406 (2007). Finite Element
Analysis of the Time-Dependent Smoluchowski Equation for Acetylcholinesterase Reaction
Rate Calculations.
154. M. G. Kurnikova, R. D. Coalson, P. Graf, and A. Nitzan, Biophys. J. , 76 , 642-656 (1999). A
Lattice Relaxation Algorithm for Three-Dimensional Poisson-Nernst-Planck Theory with
Application to Ion Transport through the Gramicidin A Channel.
155. A. E. Cardenas, R. D. Coalson, and M. G. Kurnikova, Biophys. J. , 79 , 80-93 (2000). Three-
Dimensional Poisson-Nernst-Planck Theory Studies: Influence of Membrane Electrostatics
on Gramicidin A Channel Conductance.
156. Z. Kuang and T. L. Beck, (2007). The PNP code is available on request. Contact thomas.
beck@uc.edu.
157. E. Artacho, T. L. Beck and E. Hernandez, Phys. Stat. Sol. B , 243 , 971-972 (2006), Preface.
158. K. Hirose, T. Ono, Y. Fujimoto, and S. Tsukamoto, First-Principles Calculations in Real-Space
Formalism: Electronic Configurations and Transport Properties of Nanostructures , Imperial
College Press, London, 2005.
159. K. A. Iyer, M. P. Merrick, and T. L. Beck, J. Chem. Phys. , 103 , 227-233 (1995). Application of
a Distributed Nucleus Approximation in Grid Based Minimization of the Kohn-Sham
Energy Functional.
160. M. P. Merrick, K. A. Iyer, and T. L. Beck, J. Phys. Chem. , 99 , 12478-12482 (1995). Multigrid
Method for Electrostatic Computations in Numerical Density-Functional Theory.
161. T. L. Beck, Int. J. Quant. Chem. , 65 , 477-486 (1997). Real-Space Multigrid Solution of
Electrostatics Problems and the Kohn-Sham Equations.
162. T. L. Beck, K. A. Iyer, andM. P. Merrick, Int. J , Quant. Chem. , 61 , 341-348 (1997). Multigrid
Methods in Density Functional Theory.
163. J. Bernholc, J. Y. Yi, and D. J. Sullivan, Faraday Discussions , 91 , 217-228 (1991). Structural
Transitions in Metal-Clusters.
164. L. Kronik, A. Makmal, M. L. Tiago, M. M. G. Alemany, M. Jain, X. Y. Huang, Y. Saad, and J.
R. Chelikowsky, Phys. Stat. Sol. B , 243 , 1063-1079 (2006). PARSEC—The Pseudopotential
Algorithm for Real-Space Electronic Structure Calculations: Recent Advances and Novel
Applications to Nano-Structures.
165. Y. K. Zhou, Y. Saad, M. L. Tiago, and J. R. Chelikowsky, J. Comput. Phys. , 219 ,
172-184 (2006). Self-Consistent-Field Calculations Using Chebyshev-Filtered Subspace
Iteration.
166. Y. K. Zhou, Y. Saad, M. L. Tiago, and J. R. Chelikowsky, Phys. Rev. E , 74 , 066704
(2006). Parallel Self-Consistent-Field Calculations via Chebyshev-Filtered Subspace
Acceleration.
167. D. K. Jordan and D. A. Mazziotti, J. Chem. Phys. , 120 , 574-578 (2004). Spectral Differences
in Real-Space Electronic Structure Calculations.
168. F. Ancilotto, P. Blandin, and F. Toigo, Phys. Rev. B , 59 , 7868-7875 (1999). Real-Space Full-
Multigrid Study of the Fragmentation of Li-11
Clusters.
169. I. H. Lee, Y. H. Kim, and R. M. Martin, Phys. Rev. B , 61 , 4397-4400 (2000). One-Way
Multigrid Method in Electronic-Structure Calculations.
170. J. Bernholc, W. Lu, S. M. Nakhmanson, P. H. Hahn, V. Meunier, M. B. Nardelli, and W. G.
Schmidt, Mol. Phys. , 105 , 147-156 (2007). Atomic Scale Design of Nanostructures.
171. J. L. Fattebert and F. Gygi, J. Comput. Chem. , 23 , 662-666 (2002). Density Functional Theory
for Efficient Ab Initio Molecular Dynamics Simulations in Solution.
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