Statements (13)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:logic
|
| gptkbp:alsoKnownAs |
symmetric orthogonalization
|
| gptkbp:application |
molecular orbital theory
basis set transformation |
| gptkbp:field |
quantum chemistry
linear algebra |
| https://www.w3.org/2000/01/rdf-schema#label |
Lowdin orthogonalization
|
| gptkbp:method |
uses eigenvalue decomposition of overlap matrix
|
| gptkbp:namedAfter |
gptkb:Per-Olov_Löwdin
|
| gptkbp:purpose |
orthogonalize a set of non-orthogonal vectors
|
| gptkbp:result |
produces orthonormal set closest to original set in least-squares sense
|
| gptkbp:bfsParent |
gptkb:Felix_Lowdin
|
| gptkbp:bfsLayer |
7
|