Publisher’s Note: “Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state” [J. Chem. Phys. 129, 154304 (2008)]

2009 ◽  
Vol 131 (2) ◽  
pp. 029901
Author(s):  
Anne Lechtken ◽  
Christian Neiss ◽  
Jason Stairs ◽  
Detlef Schooss
Keyword(s):  
Comparative Study ◽  
Charge State ◽  
Chem Phys ◽  
Metal Type

Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state

2008 ◽  
Vol 129 (15) ◽  
pp. 154304 ◽  
Author(s):  
Anne Lechtken ◽  
Christian Neiss ◽  
Jason Stairs ◽  
Detlef Schooss
Keyword(s):  
Comparative Study ◽  
Charge State ◽  
Metal Type

A COMPARATIVE STUDY OF ITERATIVE CHEBYSHEV AND LANCZOS IMPLEMENTATIONS OF THE BOUNDARY INHOMOGENEITY METHOD FOR QUANTUM SCATTERING

2003 ◽  
Vol 02 (04) ◽  
pp. 563-571 ◽  
Author(s):  
HONG ZHANG ◽  
SEAN C. SMITH
Keyword(s):  
Linear System ◽  
Comparative Study ◽  
Iterative Methods ◽  
Chem Phys ◽  
Quantum Scattering ◽  
Lanczos Algorithm ◽  
Artificial Boundary ◽  
Convergence Behavior ◽  
Chebyshev Algorithm ◽  
Made In

We have recently developed a scaleable Artificial Boundary Inhomogeneity (ABI) method [Chem. Phys. Lett.366, 390–397 (2002)] based on the utilization of the Lanczos algorithm, and in this work explore an alternative iterative implementation based on the Chebyshev algorithm. Detailed comparisons between the two iterative methods have been made in terms of efficiency as well as convergence behavior. The Lanczos subspace ABI method was also further improved by the use of a simpler three-term backward recursion algorithm to solve the subspace linear system. The two different iterative methods are tested on the model collinear H+H 2 reactive state-to-state scattering.

scholarly journals Erratum: “A comparative study of the Si+O2→SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods” [J. Chem. Phys. 128, 174307 (2008)]

2009 ◽  
Vol 130 (4) ◽  
pp. 049901 ◽  
Author(s):  
Fabrice Dayou ◽  
Pascal Larrégaray ◽  
Laurent Bonnet ◽  
Jean-Claude Rayez ◽  
Pedro Nilo Arenas ◽  
...  
Keyword(s):  
Comparative Study ◽  
Reaction Dynamics ◽  
Chem Phys

scholarly journals Correlations Between the Thermoelectric Power and Hall Effect of SN- or GE-Doped IN2O3Polycrystalline Ceramics

1997 ◽  
Vol 19 (4) ◽  
pp. 217-223 ◽  
Author(s):  
C. Marcel ◽  
J. Salardenne ◽  
S. Y. Huang ◽  
G. Campet ◽  
J. Portier
Keyword(s):  
Comparative Study ◽  
Hall Effect ◽  
Thermoelectric Power ◽  
Carrier Concentration ◽  
Cross Section ◽  
Lewis Acid ◽  
Carrier Mobility ◽  
Acid Strength ◽  
Metal Type ◽  
Dopant Element

The thermoelectric power and Hall effect of Sn-or Ge-doped In2O3ceramics are investigated based on a comparative study. The metal-type conductivity in both the samples occurs when the carrier concentration exceeds ~1019cm-3. The carrier mobility is found to be higher for Ge-doped samples. The relation between the <<Lewis acid strength>> of the dopant element and its scattering cross section is also presented.

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