RELCI
swMATH ID:  1178 
Software Authors:  S. Fritzsche, C.F. Fischer, G. Gaigalas 
Description:  RELCI: a program for relativistic configuration interaction calculations. The setup and diagonalization of (large) Hamiltonian matrices are two key elements in studying the structure and properties of manyelectron atoms and ions. The efficiency in dealing with these tasks eventually determines for which atomic systems useful ab initio predictions can be made today and how accurate these predictions are. To facilitate further structure calculations, in particular for openshell atoms and ions, here we present a new configuration interaction program in the framework of the RELCI package which help incorporate different approximations to the electronelectron interaction in the Hamiltonian matrix and, thus, into the representation of the wave functions. Our new program also supports several computational modes to allow for a flexible choice between particular time and storage requirements of the user. Care has been taken to provide a modern and userfriendly component of the RELCI package which carefully applies the concepts of Fortran 90/95 
Homepage:  http://cpc.cs.qub.ac.uk/summaries/ADQH_v1_0.html 
Programming Languages:  Fortran. 
Operating Systems:  IBM AIX 4.1.2+, Linux 6.1.+. 
Keywords:  Atomic physics; Breit interaction; Configuration interaction; DiracCoulombBreit Hamiltonian; Largescale computations; Multiconfiguration DiracFock; QED estimate; Relativistic; Transverse interaction; Structure. 
Related Software:  GRASP92; DVDSON 
Cited in:  3 Publications 
Standard Articles
1 Publication describing the Software, including 1 Publication in zbMATH  Year 

RELCI: A program for relativistic configuration interaction calculations. Zbl 1196.81021 Fritzsche, S.; Fischer, C. Froese; Gaigalas, G. 
2002

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top 5
Cited by 8 Authors
3  Fritzsche, Stephan 
1  Froese Fischer, Charlotte 
1  Gaigalas, Gediminas 
1  Heinäsmäki, S. 
1  Mukherjee, Prabir K. 
1  Mukherjee, T. K. 
1  Nikkinen, Jussi 
1  Saha, Jayanta K. 
Cited in 2 Serials
2  Computer Physics Communications 
1  Physics Letters. A 
Cited in 2 Fields
3  Quantum theory (81XX) 
1  Linear and multilinear algebra; matrix theory (15XX) 