Optimization of parameters for an effective hamiltonian

✍ Scribed by William C. Herndon; M.Lawrence Ellzey Jr.

• Book ID: 103018584
• Publisher: Elsevier Science
• Year: 1979
• Tongue: English
• Weight: 437 KB
• Volume: 60
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(79)80624-7

✦ Synopsis

A generaIIy applicable, least-squares method that can be used to optimize the parameters of an effective hamiltonian matrix in any basis set Is dexxibed. The technique is applied to the correIation of photoelectron spectra of saturated hydrocarbons.