Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases
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Publication:427415
DOI10.1007/s10910-011-9921-5zbMath1244.92068OpenAlexW2162692430WikidataQ62511148 ScholiaQ62511148MaRDI QIDQ427415
Publication date: 13 June 2012
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-011-9921-5
quantum chemistryquantum similarityLCAO MO theoryfunction basis setsLöwdin transformationmetric overlap matricesprojected spacesreciprocal spacessymmetric overlap transformations
Related Items (3)
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Cites Work
- Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
- Scaled Euclidean distances: a general dissimilarity index with a suitably defined geometrical foundation
- A quantum similarity matrix (QSM) Aufbau procedure
- On quantum molecular similarity measures (QMSM) and indices (QMSI)
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
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