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Automatic generation of configuration interaction Hamiltonian matrix elements

โœ Scribed by Gerardo Cisneros; H. V. McIntosh; Carlos F. Bunge

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
373 KB
Volume
26
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Efficient generation of configuration in
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A method for the efficient generation of CI marris elements over spin eigenfunctions is presented. Practical application of the approach is iinited to configurations with about 10 open shells, but the algorithm results in the generation of more than 2200 mntris elementslsecond on nn Il3hi 370/158 co

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## Abstract A method is proposed for the calculation of matrix elements among various states of atoms. A set of tensor operators is the only entity in the formalism, and all formulas involve merely the vacuum expectation values of these tensor operators and the recoupling transformation coefficient

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A code which can be used to automatically generate entire sets of analytical matrix elements of the instantaneous electrostatic interaction potential between the projectile electron and the target atom is described. The code can be used at present for both hydrogen and helium target atoms. In the ca