The Fix–Heiberger procedure for solving the generalized Ill‐conditioned symmetric eigenvalue problem | Zendy

Jungen Martin | Zendy; Kaufmann Karl | Zendy

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The Fix–Heiberger procedure for solving the generalized Ill‐conditioned symmetric eigenvalue problem

Author(s) -

Jungen Martin,

Kaufmann Karl

Publication year - 1992

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.560410302

Subject(s) - eigenvalues and eigenvectors , formalism (music) , atomic orbital , rydberg formula , quantum , quantum chemistry , quantum mechanics , mathematics , physics , algebra over a field , pure mathematics , molecule , electron , art , musical , ion , visual arts , ionization , supramolecular chemistry

We review a formalism introduced by Fix and Heiberger in 1972 for solving the generalized (or nonorthogonal) eigenvalue problem for ill‐conditioned symmetric matrices and we discuss its application in quantum chemistry. A few examples dealing with the calculation of high Rydberg orbitals are presented.

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