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Articles 31 - 32 of 32
Full-Text Articles in Atomic, Molecular and Optical Physics
Upgrades To Nrlmol Code, Luis Basurto
Upgrades To Nrlmol Code, Luis Basurto
Open Access Theses & Dissertations
This project consists of performing upgrades to the massively parallel NRLMOL electronic structure code in order to enhance its performance by increasing its flexibility by: a) Utilizing dynamically allocated arrays, b) Executing in a parallel environment sections of the program that were previously executed in a serial mode, c) Exploring simultaneous concurrent executions of the program through the use of an already existing MPI environment; thus enabling the simulation of larger systems than it is currently capable of performing. Also developed was a graphical user interface that will allow less experienced users to start performing electronic structure calculations by aiding …
Reply To "Comment On ‘Atomic Spectral Line Free-Parameter Deconvolution Procedure’”, Vladimir Milosavljevic, Goran Poparic
Reply To "Comment On ‘Atomic Spectral Line Free-Parameter Deconvolution Procedure’”, Vladimir Milosavljevic, Goran Poparic
Articles
We do not agree with the authors of the preceding Comment [X. Nikolic, X. Ojurovic, and X. Mijatovic, Phys. Rev. E, 67, 058401, 2003]. Our numerical procedure for the deconvolution of the theoretical asymmetric convolution integral of a Gaussian and a plasma broadened spectral line profile jA,R(λ) for spectral lines enables the determination of all broadening parameters. All broadening parameters can be determined directly from the recorded line profile of a single line, with minimal assumptions or prior knowledge. Additional experimental diagnostics are not required.