Journal ArticleDOI
GRASP92: a package for large-scale relativistic atomic structure calculations
Reads0
Chats0
TLDR
In this paper, a suite of programs for multiconfiguration or configuration-interaction relativistic atomic structure calculations with large configuration state function lists is described, where atomic orbitals are taken to be four-component spinors.About:
This article is published in Computer Physics Communications.The article was published on 1996-04-01. It has received 800 citations till now. The article focuses on the topics: Configuration state function & Atomic orbital.read more
Citations
More filters
Journal ArticleDOI
Applications of B-splines in atomic and molecular physics
TL;DR: In this article, the main properties of B-spline basis sets and why they are useful to solve different problems in atomic and molecular physics are discussed and an extensive reference list of theoretical works that have made use of them up to 2000 is provided.
Journal ArticleDOI
The grasp2K relativistic atomic structure package
TL;DR: This paper describes grasp2K, a general-purpose relativistic atomic structure package, a modification and extension of the GRASP92 package that supports the 32-bit Linux and ibmSP environments where the former is compatible with many Unix systems.
Journal ArticleDOI
New Version: Grasp2K Relativistic Atomic Structure Package
Per Jönsson,Gediminas Gaigalas,Jacek Bieron,C. Froese Fischer,C. Froese Fischer,Ian P. Grant +5 more
TL;DR: A revised version of Grasp 2 K supports earlier non-block and block versions of codes as well as a new block version in which the njgraf library module has been replaced by the librang angular package developed by Gaigalas based on the theory of Dirac–Hartree–Fock.
Journal ArticleDOI
HULLAC, an integrated computer package for atomic processes in plasmas
TL;DR: H ULLAC as mentioned in this paper, an integrated code for calculating atomic structure and cross sections for collisional and radiative atomic processes, is based on relativistic quantum mechanical calculations including configuration interaction.
Journal ArticleDOI
Breit–Pauli energy levels, lifetimes, and transition probabilities for the beryllium-like to neon-like sequences☆
TL;DR: Energy levels, lifetimes, and transition probabilities for transitions between computed levels are reported for the Be-like (Z =4,…,12) to Ne-like sequences as mentioned in this paper.
References
More filters
Book
CRC Handbook of Chemistry and Physics
TL;DR: CRC handbook of chemistry and physics, CRC Handbook of Chemistry and Physics, CRC handbook as discussed by the authors, CRC Handbook for Chemistry and Physiology, CRC Handbook for Physics,
Journal ArticleDOI
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
Journal ArticleDOI
A set of level 3 basic linear algebra subprograms
TL;DR: This paper describes an extension to the set of Basic Linear Algebra Subprograms targeted at matrix-vector operations that should provide for efficient and portable implementations of algorithms for high-performance computers.
Journal ArticleDOI
Basic Linear Algebra Subprograms for Fortran Usage
TL;DR: A package of 38 low level subprograms for many of the basic operations of numerical linear algebra is presented, intended to be used with FORTRAN.