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Computational strategy using improved virtual orbitals to ensure orthogonality of excited states to the ground state and to each other for calculation of transition matrix elements
Author(s) -
Kaufman Joyce J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560220856
Subject(s) - atomic orbital , excited state , orthogonality , ground state , state (computer science) , theoretical physics , quantum chemistry , physics , quantum mechanics , chemistry , computer science , mathematics , algorithm , molecule , electron , geometry , supramolecular chemistry
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