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CPHYSICS
2006
68views more  CPHYSICS 2006»
13 years 4 months ago
Hyperfine structure parametrisation in Maple
In hyperfine structure examinations, routine high resolution spectroscopy methods have to be combined with exact fine structure calculations. The so-called magnetic A and electric...
Gediminas Gaigalas, O. Scharf, S. Fritzsche
CPHYSICS
2006
135views more  CPHYSICS 2006»
13 years 4 months ago
USPEX - Evolutionary crystal structure prediction
We approach the problem of computational crystal structure prediction, implementing an evolutionary algorithm--USPEX (Universal Structure Predictor: Evolutionary Xtallography). St...
Colin W. Glass, Artem R. Oganov, Nikolaus Hansen
CPHYSICS
2006
95views more  CPHYSICS 2006»
13 years 4 months ago
Multibillion-atom molecular dynamics simulation: Design considerations for vector-parallel processing
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...
D. C. Rapaport
CPHYSICS
2006
109views more  CPHYSICS 2006»
13 years 4 months ago
Comparison of time splitting and backsubstitution methods for integrating Vlasov's equation with magnetic fields
The standard approach for integrating the multidimensional Vlasov equation using grid based, conservative schemes is based on a time splitting approach. Here, we show that althoug...
H. Schmitz, R. Grauer
CPHYSICS
2006
95views more  CPHYSICS 2006»
13 years 4 months ago
Efficient data processing and quantum phenomena: Single-particle systems
We study the relation between the acquisition and analysis of data and quantum theory using a probabilistic and deterministic model for photon polarizers. We introduce criteria fo...
H. De Raedt, Koen De Raedt, K. Michielsen, S. Miya...