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- W70484065 abstract "Abstract We devise an efficient algorithm for the symbolic calculation of irreducible angular momentum and spin (LS) eigenspaces within the n -fold antisymmetrized tensor product ^ n V u , where n is the number of electrons and u = s,p,d,… denotes the atomic subshell. This is an essential step for dimension reduction in configuration-interaction (CI) methods applied to atomic many-electron quantum systems. The algorithm relies on the observation that each L z eigenstate with maximal eigenvalue is also an L 2 eigenstate (equivalently for S z and S 2 ), as well as the traversal of LS eigenstates using the lowering operators L_ and S_ . Iterative application to the remaining states in ^ n V u leads to an implicit simultaneous diagonalization. A detailed complexity analysis for fixed n and increasing subshell number u yields run time O ( u 3n–2 ). A symbolic computer algebra implementation is available online." @default.
- W70484065 created "2016-06-24" @default.
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- W70484065 date "2016-01-01" @default.
- W70484065 modified "2023-09-27" @default.
- W70484065 title "Efficient Algorithm for Many-Electron Angular Momentum and Spin Diagonalization on Atomic Subshells" @default.
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- W70484065 doi "https://doi.org/10.4208/cicp.281014.190615a" @default.
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