HYDMATEL: a code to calculate matrix elements for hydrogen-like atoms

Recursion relations for determining radial matrix elements of r-dependent operators between hydrogenic wavefunctions are derived using a technique based on the hypervirial theorem along with a second quantization formalism. These expressions have been included in the program HYDMATEL, and this code...

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Bibliographic Details
Published inComputer physics communications Vol. 75; no. 1; pp. 185 - 190
Main Authors SANCHEZ, M. L, PINEIRO, A. L
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 1993
Elsevier Science
Subjects
Computational techniques
Exact sciences and technology
Mathematical methods in physics
Physics
Calculation code
Matrix element
Numerical method
Hydrogen Atoms
Mathematical operator
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Summary:Recursion relations for determining radial matrix elements of r-dependent operators between hydrogenic wavefunctions are derived using a technique based on the hypervirial theorem along with a second quantization formalism. These expressions have been included in the program HYDMATEL, and this code is valid for both diagonal and off-diagonal matrix element calculations with no limitation on the values of the n and l quantum numbers or on the power of the operator.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0010-4655
1879-2944
DOI:10.1016/0010-4655(93)90174-B