Numerical Procedures for Relativistic Atomic Structure Calculations
Keyword(s):
Variational methods are used extensively in the calculation of transition rates for numerous lines in a spectrum. In the GRASP code, solutions of the multiconfiguration Dirac–Hartree–Fock (MCDHF) equations that optimize the orbitals are represented by numerical values on a grid using finite differences for integration and differentiation. The numerical accuracy and efficiency of existing procedures are evaluated and some modifications proposed with heavy elements in mind.
2004 ◽
Vol 37
(20)
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pp. 4193-4204
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Keyword(s):
Keyword(s):
2018 ◽
2009 ◽
Vol 8
(S8)
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pp. 5-15
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Keyword(s):
1979 ◽
Vol 290
(1371)
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pp. 327-352
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