Note on a Roothaan procedure
β
R. CarbΓ³
π
Article
π
1971
π
Elsevier Science
π
English
β 117 KB
The existence of a monodimensional null space of a matrix, found in the Roothaan resolution of the SCF pseudoeigenvalue problem, is discussed. and some heuristic conditions are given. The Roothaan-Bagus process [l] to solve the atomic SCF pseudoeigenvalue problem